A

Asheri, Armin ; Fathidoost, Mozhdeh ; Glavas, Vedran ; Rezaei, Shahed ; Xu, Bai-Xiang (2023)
Data-driven multiscale simulation of solid-state batteries via machine learning.
In: Computational Materials Science, 226
doi: 10.1016/j.commatsci.2023.112186
Article

Ahlers, Steffen ; Röckel, Luisa ; Hergert, Tobias ; Reiter, Karsten ; Heidbach, Oliver ; Henk, Andreas ; Müller, Birgit ; Morawietz, Sophia ; Scheck-Wenderoth, Magdalena ; Anikiev, Denis (2022)
The crustal stress field of Germany: a refined prediction.
In: Geothermal Energy, 10
doi: 10.1186/s40517-022-00222-6
Article

Arzt, Peter ; Fischler, Yannic ; Lehr, Jan-Patrick ; Bischof, Christian
eds.: Sousa, Leonel ; Roma, Nuno ; Tomás, Pedro (2021)
Automatic Low-Overhead Load-Imbalance Detection in MPI Applications.
Euro-Par 2021: Parallel Processing. Virtual (Lisbon) (September 1–3, 2021)
doi: 10.1007/978-3-030-85665-6_2
Conference or Workshop Item

Auernhammer, Julia ; Keil, Tom ; Lin, Binbin ; Schäfer, Jan-Lukas ; Xu, Bai-Xiang ; Biesalski, Markus ; Stark, R. W. (2021)
Mapping humidity-dependent mechanical properties of a single cellulose fibre.
In: Cellulose
doi: 10.1007/s10570-021-04058-4
Article

Adjaoud, Omar ; Albe, Karsten (2021)
Nanoindentation of Nanoglasses Tested by Molecular Dynamics Simulations: Influence of Structural Relaxation and Chemical Segregation on the Mechanical Response.
In: Frontiers in Materials, 8
doi: 10.3389/fmats.2021.664220
Article

Adjaoud, Omar ; Albe, Karsten (2020)
Mechanical Properties of Glassy Nanopillars: A Comparative, Computational Study of Size Effects in Nanoglasses and Homogeneous Bulk Glasses.
In: Frontiers in Materials, 7
doi: 10.3389/fmats.2020.544660
Article

Andrews, Justin L. ; Stein, Peter ; Santos, David A. ; Chalker, Cody J. ; Jesus, Luis R. de ; Davidson, Rachel D. ; Gross, Michelle A. ; Pharr, Matt ; Batteas, James D. ; Xu, Bai-Xiang ; Banerjee, Sarbajit (2020)
Curvature-Induced Modification of Mechano-Electrochemical Coupling and Nucleation Kinetics in a Cathode Material.
In: Matter, 3
doi: 10.1016/j.matt.2020.08.030
Article

Adjaoud, Omar ; Albe, Karsten (2019)
Influence of microstructural features on the plastic deformation behavior of metallic nanoglasses.
In: Acta Materialia, 168
doi: 10.1016/j.actamat.2019.02.033
Article

Adjaoud, Omar ; Albe, Karsten (2017)
Microstructure formation of metallic nanoglasses: Insights from molecular dynamics simulations.
In: Acta Materialia, 145
doi: 10.1016/j.actamat.2017.12.014
Article

Altherr, Lena C. ; Ederer, T. ; Schänzle, C. ; Lorenz, U. ; Pelz, P. F.
eds.: Doerner, Karl Franz ; Ljubic, Ivana ; Pflug, Georg ; Tragler, Gernot (2017)
Algorithmic System Design Using Scaling and Affinity Laws.
doi: 10.1007/978-3-319-42902-1_82
Conference or Workshop Item

Azim, M. A. ; Gorr, B. ; Christ, H.-J. ; Lenchuk, O. ; Albe, K. ; Schliephake, D. ; Heilmaier, M. (2017)
Effect of Ti content and nitrogen on the high-temperature oxidation behavior of (Mo,Ti) 5 Si 3.
In: Intermetallics, 90
doi: 10.1016/j.intermet.2017.05.023
Article

Adjaoud, Omar ; Albe, Karsten (2016)
Interfaces and interphases in nanoglasses: Surface segregation effects and their implications on structural properties.
In: Acta Materialia, 113
Article

Ayers, Lawrence F. (2015)
Validation of a discontinuous Galerkin based compressible CFD solver.
TU Darmstadt
Bachelor Thesis

Albert, C. ; Kromer, Johannes ; Robertson, A. M. ; Bothe, D. (2015)
Dynamic behaviour of buoyant high viscosity droplets rising in a quiescent liquid.
In: Journal of Fluid Mechanics, 778
Article

Aghajari, Nima ; Schaefer, Michael (2015)
Efficient shape optimization for fluid-structure interaction problems.
In: Journal of Fluids and Structures, 57
Article

Aghajari, Nima ; Schäfer, Michael
eds.: Ivanyi, P. ; Topping, B. H. V. (2015)
Parallel Code Coupling for the Optimization of Fluid-Structure Interaction Problems.
In: Proceedings of the Fourth International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering
Book Section

Avdic, Amer ; Kuenne, G. ; Ketelheun, Anja ; Sadiki, A. ; Jakirlić, Suad ; Janicka, J. (2014)
High performance computing of the Darmstadt stratified burner by means of large eddy simulation and a joint ATF-FGM approach.
In: Computing and Visualization in Science, 16 (2)
Article

Aschmoneit, Kai (2014)
Numerische Beschreibung technischer Verbrennungssysteme.
TU Darmstadt
Ph.D. Thesis

Avdic, Amer (2014)
Development and Application of Numerical Methods for the Simulation of Advanced Combustion Processes within Complex Devices.
TU Darmstadt
Ph.D. Thesis

Avdic, Amer ; Kuenne, G. ; Ketelheun, Anja ; Sadiki, A. ; Janicka, J. (2013)
Studying the impact of shear onto the mixing processes of a turbulent stratified flame by means of Large Eddy Simulation.
SIAM International Conference on Numerical Combustion. San Antonio, USA
Conference or Workshop Item

Avdic, Amer ; Kuenne, G. ; Ketelheun, Anja ; Sadiki, A. ; Janicka, J. (2013)
Large Eddy Simulation of a Lean Stratified Flame Exposed to Different Shear Conditions in the Upstream Mixing Layer.
Proceedings of the European Combustion Meeting. Lund, Sweden
Conference or Workshop Item

B

Barrett, Adam N. ; Diefenbach, Martin ; Mahon, Mary F. ; Krewald, Vera ; Webster, Ruth L. (2022)
An Iron‐Catalyzed Route to Dewar 1,3,5‐Triphosphabenzene and Subsequent Reactivity.
In: Angewandte Chemie, (Early Access)
doi: 10.1002/ange.202208663
Article

Buchhorn, Moritz ; Deeth, Robert J. ; Krewald, Vera (2022)
Revisiting the Fundamental Nature of Metal‐Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model Parameters.
In: Chemistry – A European Journal, 2022
doi: 10.1002/chem.202103775
Article

Brinkmeier, Alexander ; Schulz, Roland A. ; Buchhorn, Moritz ; Spyra, Can-Jerome ; Dechert, Sebastian ; Demeshko, Serhiy ; Krewald, Vera ; Meyer, Franc (2021)
Structurally Characterized μ-1,2-Peroxo/Superoxo Dicopper(II) Pair.
In: Journal of the American Chemical Society, 143 (27)
doi: 10.1021/jacs.1c04316
Article

Bai, Yang ; Santos, David A. ; Rezaei, Shahed ; Stein, Peter ; Banerjee, Sarbajit ; Xu, Bai-Xiang (2021)
A chemo-mechanical damage model at large deformation : numerical and experimental studies on polycrystalline energy materials.
In: International Journal of Solids and Structures, 228
doi: 10.1016/j.ijsolstr.2021.111099
Article

Beets, Nathan ; Farkas, Diana ; Albe, Karsten (2021)
The Mechanical Response of Nanoporous Gold and Silver Foams with Varying Composition and Surface Segregation.
In: Acta Materialia, 203
doi: 10.1016/j.actamat.2020.10.064
Article

Burger, Michael ; Nguyen, Giang Nam ; Bischof, Christian (2021)
Extending Perfect Spatial Hashing to Index Tuple-based Graphs Representing Super Carbon Nanotubes.
International Conference on Computational Science (ICCS 2017). Zurich, Switzerland (12.-14.06.2017)
doi: 10.26083/tuprints-00019090
Conference or Workshop Item, Secondary publication, Publisher's Version

Burger, Michael ; Bischof, Christian ; Schröppel, Christian ; Wackerfuß, Jens (2021)
A Unified and Memory Efficient Framework for Simulating Mechanical Behavior of Carbon Nanotubes.
International Conference on Computational Science (ICCS 2015). Reykjavík, Iceland (01.-03.06.2015)
doi: 10.26083/tuprints-00019380
Conference or Workshop Item, Secondary publication, Publisher's Version

Burger, Michael ; Bischof, Christian ; Krämer, Juliane
ed.: Khalid, Zine-Dine (2019)
A new Parallelization for p3Enum and Parallelized Generation of Optimized Pruning Functions.
HPCS 2019- International Conference on High Performance Computing & Simulation. Dublin, Irland (15.-19.07.)
Conference or Workshop Item

Bohnstein, Maximilian von ; Ströhle, Jochen ; Epple, Bernd (2019)
CFD Simulation of an Oxy-fuel Demonstration Power Plant with Application of a WSGG radiation model.
10th International Conference on Applied Energy. Hong Kong (22.-25.08.2018)
Conference or Workshop Item

Brink, Tobias ; Albe, Karsten (2018)
From metallic glasses to nanocrystals: Molecular dynamics simulations on the crossover from glass-like to grain-boundary-mediated deformation behaviour.
In: Acta Materialia, 156
doi: 10.1016/j.actamat.2018.06.036
Article

Barragan-Yani, D. ; Albe, K. (2018)
Influence of Na and Ga on the electrical properties of perfect 60° dislocations in Cu(In, Ga)Se2 thin-film photovoltaic absorbers.
In: Journal of Applied Physics, 123 (16)
doi: 10.1063/1.5026483
Article

Bohnstein, Maximilian von ; Stroh, Alexander ; Ströhle, Jochen ; Epple, Bernd (2017)
Vorhersage korrosiver Gasatmosphären in der Brennkammer eines Kohlekraftwerks.
28. Deutscher Flammentag. Darmstadt, Deutschland (26.-27. September 2017)
Conference or Workshop Item

Burger, Michael ; Nguyen, Giang Nam ; Bischof, Christian (2017)
Extending Perfect Spatial Hashing to Index Tuple-based Graphs Representing Super Carbon Nanotubes.
ICCS 2017. Zürich (12.06.2017)
Conference or Workshop Item

Burger, Michael (2017)
Memory-Efficient and Parallel Simulation of Super Carbon Nanotubes.
Technische Universität
Ph.D. Thesis, Primary publication

Bohnstein, Maximilian von ; Stroh, Alexander ; Ströhle, Jochen ; Epple, Bernd (2017)
Prediction of corrosive atmospheres in a furnace of an industrial power plant.
8th European Combustion Meeting. Dubrovnik, Croatia (18. - 21. April 2017)
Conference or Workshop Item

Barragan-Yani, Daniel ; Albe, Karsten (2017)
Atomic and electronic structure of perfect dislocations in the solar absorber materials CuInSe_2 and CuGaSe_2 studied by first-principles calculations.
In: Physical Review B, 95 (11)
Article

Brink, Tobias (2017)
Heterogeneities in Metallic Glasses: Atomistic Computer Simulations on the Structure and Mechanical Properties of Copper–Zirconium Alloys and Composites.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Brink, Tobias ; Koch, Leonie ; Albe, Karsten (2016)
Structural origins of the boson peak in metals: From high-entropy alloys to metallic glasses.
In: Physical Review B, 94 (22)
Article

Burger, Michael ; Bischof, Christian ; Wackerfuß, Jens (2016)
Compressed Symmetric Graphs for the Simulation of Super Carbon Nanotubes.
Innsbruch, Austria
Conference or Workshop Item

Brink, Tobias ; Peterlechner, Martin ; Rösner, Harald ; Albe, Karsten ; Wilde, Gerhard (2016)
Influence of Crystalline Nanoprecipitates on Shear-Band Propagation in Cu-Zr-Based Metallic Glasses.
In: Physical Review Applied, 5 (5)
Article

Burger, Michael ; Bischof, Christian ; Schröppel, Christian ; Wackerfuß, Jens (2016)
Methods to Model and Simulate Super Carbon Nanotubes of Higher Order.
In: Concurrency and Computation: Practice and Experience, 29 (Special Issue)
Article

Burger, Michael ; Bischof, Christian ; Schröppel, Christian ; Wackerfuß, Jens (2015)
An Improved Algorithm for Simulating the Mechanical Behavior of Super Carbon Nanotubes.
Proceedings of the IEEE International Conference on Computational Science and Engineering. Porto, Portugal
Conference or Workshop Item

Burger, Michael ; Bischof, Christian ; Schröppel, Christian ; Wackerfuß, Jens (2015)
Exploiting Structural Properties During Carbon Nanotube Simulation.
Conference or Workshop Item

Burger, Michael ; Bischof, Christian ; Schröppel, Christian ; Wackerfuß, Jens (2015)
A Unified and Memory Efficient Framework for Simulating Mechanical Behavior of Carbon Nanotubes.
Proceedings of the International Conference on Computational Science. Reykjavik, Iceland
Conference or Workshop Item

Brink, Tobias ; Şopu, Daniel ; Albe, Karsten (2015)
Solid-state amorphization of Cu nanolayers embedded in aCu64Zr36glass.
In: Physical Review B, 91 (18)
Article

Burger, Michael ; Bischof, Christian (2014)
Optimizing the Memory Access Performance of FASTEST's Sispol Routine.
World Congress on Computational Mechanics. Barcelona, Spain
Conference or Workshop Item

C

Chen, Xing ; Lin, Binbin ; Schuster, Miriam ; Chen, Suwen ; Xu, Bai-Xiang ; Schneider, Jens (2023)
Effect of moisture on the delamination properties of fractured PVB-laminated glass: A joint experimental and numerical study.
In: Composite Structures, 322
doi: 10.1016/j.compstruct.2023.117381
Article

Cogno, Nicolò ; Bauer, Roman ; Durante, Marco (2022)
A 3D Agent-Based Model of Lung Fibrosis.
In: Symmetry, 2022, 14 (1)
doi: 10.26083/tuprints-00020321
Article, Secondary publication, Publisher's Version

Cojocaru-Mirédin, Oana ; Ghorbani, Elaheh ; Raghuwanshi, Mohit ; Jin, Xiaowei ; Pandav, Dipak ; Keutgen, Jens ; Schneider, Reinhard ; Gerthsen, Dagmar ; Albe, Karsten ; Scheer, Roland (2021)
Intense sulphurization process can lead to superior heterojunction properties in Cu (In,Ga)(S,Se)2 thin-film solar cells.
In: Nano Energy
doi: 10.1016/j.nanoen.2021.106375
Article

Cui, Kai ; Koeppl, Heinz (2021)
Approximately Solving Mean Field Games via Entropy-Regularized Deep Reinforcement Learning.
24th International Conference on Artificial Intelligence and Statistics. Virtual Conference (13.-15.04.2021)
Conference or Workshop Item

Coumont, Martin ; Bennewitz, Florian ; Hanson, Jutta (2019)
Influence of Different Fault Ride-Through Strategies of Converter-Interfaced Distributed Generation on Short-Term Voltage Stability.
2019 IEEE PES Innovative Smart Grid Technologies Europe. Bukarest, Romania (29.09.-02.10.2019)
doi: 10.1109/ISGTEurope.2019.8905465
Conference or Workshop Item

Coumont, Martin ; Braun, Benjamin ; Hanson, Jutta (2019)
Influence of Grid-Forming Inverter Control on Short-Term Voltage Stability in Distribution Grids.
18th Wind Integration Workshop. Dublin (Ireland) (October, 16-18 2019)
Conference or Workshop Item

Clemens, Oliver ; Rohrer, Jochen ; Nénert, Gwilherm (2016)
Magnetic structures of the low temperature phase of Mn3(VO4)2– towards understanding magnetic ordering between adjacent Kagomé layers.
In: Dalton Trans., 45 (1)
Article

Chen, Xingyuan ; Schäfer, Michael ; Bothe, Dieter (2015)
Numerical modeling and investigation of viscoelastic fluid-structure interaction applying an implicit partitioned coupling algorithm.
In: Journal of Fluids and Structures, 54
Article

Chen, Xingyuan ; Schäfer, Michael ; Bothe, Dieter
eds.: Abdulle, Assyr ; Deparis, Simone ; Kressner, Daniel ; Nobile, Fabio ; Picasso, Marco (2015)
Numerical Modelling of Viscoelastic Fluid-Structure Interaction and Its Application for a Valveless Micropump.
Numerical Mathematics and Advanced Applications - ENUMATH 2013.
Conference or Workshop Item

Chen, Xingyuan (2014)
Numerical Modeling of Fluid-Structure Interaction with Rheologically Complex Fluids.
TU Darmstadt
Ph.D. Thesis, Primary publication

Chen, Xingyuan ; Marschall, Holger ; Schäfer, Michael ; Bothe, Dieter (2013)
A comparison of stabilisation approaches for finite-volume simulation of viscoelastic fluid flow.
In: International Journal of Computational Fluid Dynamics, 27 (6-7)
Article

D

Dadvand, Abdolrahman ; Bagheri, Milad ; Samkhaniani, Nima ; Marschall, Holger ; Wörner, Martin (2021)
Advected phase-field method for bounded solution of the Cahn–Hilliard Navier-Stokes equations.
In: Physics of Fluids, 33 (5)
doi: 10.1063/5.0048614
Article

Dressler, L. ; Sacomano Filho, F. L. ; Sadiki, A. ; Janicka, J. (2020)
Influence of Thickening Factor Treatment on Predictions of Spray Flame Properties Using the ATF Model and Tabulated Chemistry.
In: Flow, Turbulence and Combustion, 2020
doi: 10.1007/s10494-020-00149-7
Article

Dressler, L. ; Ries, F. ; Kuenne, G. ; Janicka, J. ; Sadiki, A. (2019)
Analysis of Shear Effects on Mixing and Reaction Layers in Premixed Turbulent Stratified Flames using LES coupled to Tabulated Chemistry.
In: Combustion Science and Technology, 2019
doi: 10.1080/00102202.2019.1678915
Article

Dietrich, Christian ; Sadowski, Marcel ; Sicolo, Sabrina ; Weber, Dominik A. ; Sedlmaier, Stefan J. ; Weldert, Kai S. ; Indris, Sylvio ; Albe, Karsten ; Janek, Jürgen ; Zeier, Wolfgang G. (2016)
Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li_4P_2S_6.
In: Chemistry of Materials, 28 (23)
Article

E

Erhard, Linus C. ; Rohrer, Jochen ; Albe, Karsten ; Deringer, Volker L. (2022)
A machine-learned interatomic potential for silica and its relation to empirical models.
In: npj Computational Materials, 8 (1)
doi: 10.1038/s41524-022-00768-w
Article

Elvers, Benedict J. ; Sawall, Mathias ; Oberem, Elisabeth ; Heckenberger, Kilian ; Ludwig, Ralf ; Neymeyr, Klaus ; Schulzke, Carola ; Krewald, Vera ; Fischer, Christian (2021)
Towards operando IR- and UV-vis-spectro-electrochemistry: a comprehensive matrix factorisation study on sensitive and transient molybdenum and tungsten mono-dithiolene complexes.
In: Chemistry – Methods, 1 (1)
doi: 10.1002/cmtd.202000040
Article

Elger, Benjamin ; Schmidt, Torben ; Krähling, Stephan ; Neuberger, Florian ; Schäfer, Rolf (2017)
Electrostatic simulation of a complete cluster deposition apparatus based on and compared to experimental results.
In: Review of Scientific Instruments, 88 (6)
Article

F

Fathidoost, Mozhdeh ; Yang, Yangyiwei ; Oechsner, Matthias ; Xu, Bai-Xiang (2023)
Data-driven thermal and percolation analyses of 3D composite structures with interface resistance.
In: Materials & Design, 227
doi: 10.1016/j.matdes.2023.111746
Article

Fritz, Maximilian ; Rupp, Severine ; Kiene, Ciara Isabel ; Kisan, Sesha ; Telser, Joshua ; Würtele, Christian ; Krewald, Vera ; Schneider, Sven (2022)
Photoelectrochemical Conversion of Dinitrogen to Benzonitrile: Selectivity Control by Electrophile‐ versus Proton‐Coupled Electron Transfer.
In: Angewandte Chemie International Edition, 61 (35)
doi: 10.1002/anie.202205922
Article

Fischler, Yannic ; Rückamp, Martin ; Bischof, Christian ; Aizinger, Vadym ; Morlighem, Mathieu ; Humbert, Angelika (2022)
A scalability study of the Ice-sheet and Sea-level System Model (ISSM, version 4.18).
In: Geoscientific Model Development, 15 (9)
doi: 10.5194/gmd-15-3753-2022
Article

Feldmann, Robert (2022)
Ein Beitrag zur effizienten Quantifizierung von Parameter- und Modellunsicherheit strukturdynamischer Systeme.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00022182
Ph.D. Thesis, Primary publication, Publisher's Version

Friman-Gayer, U. ; Romig, C. ; Hüther, T. ; Albe, K. ; Bacca, S. ; Beck, T. ; Berger, M. ; Birkhan, J. ; Hebeler, K. ; Hernandez, O. J. ; Isaak, J. ; König, S. ; Pietralla, N. ; Ries, P. C. ; Rohrer, J. ; Roth, R. ; Savran, D. ; Scheck, M. ; Schwenk, A. ; Seutin, R. ; Werner, V. (2021)
Role of Chiral Two-Body Currents in Li6 Magnetic Properties in Light of a New Precision Measurement with the Relative Self-Absorption Technique.
In: Physical Review Letters, 126 (10)
doi: 10.1103/PhysRevLett.126.102501
Article

Fischler, Yannic ; Lehr, Jan-Patrick ; Kiehn, Matthäus Magnus ; Bischof, Christian (2019)
Automatic identification of standard template algorithms in raw loops.
6th ACM SIGPLAN International Workshop on AI-Inspired and Empirical Methods for Software Engineering on Parallel Computing Systems. Athens, Greece (22.10.2019)
doi: 10.1145/3358500.3361568
Conference or Workshop Item

Fomichev, Mikhail ; Maass, Max ; Almon, Lars ; Molina, Alejandro ; Hollick, Matthias (2019)
Perils of Zero-Interaction Security in the Internet of Things.
In: Proceedings of the ACM on Interactive, Mobile, Wearable and Ubiquitous Technologies (IMWUT), 3 (1)
doi: 10.1145/3314397
Article, Secondary publication

Flitz, Frank (2015)
Ein Konzept zur Simulation von Fluid-Struktur-Interaktion mit viskosen und akustischen Effekten.
TU Darmstadt
Ph.D. Thesis

Flitz, Frank ; Schäfer, Michael
eds.: Idelsohn, S. ; Papadrakakis, M. ; Schrefler, B. (2014)
Towards interaction of elastic structures with turbulence induced acoustics at low Mach numbers.
V International Conference on Computational Methods for Coupled Problems in Science and Engineering, Coupled Problems 2013. Barcelona (17.-19.06.2013)
Conference or Workshop Item

G

Ghorbani, Elaheh ; Schiller, Martin ; Falk, Hans H. ; Wägele, Leonard A. ; Eckner, Stefanie ; d’Acapito, Francesco ; Scheer, Roland ; Albe, Karsten ; Schnohr, Claudia S. (2023)
Elucidating the local structure of V substitutes in In2S3 as potential intermediate band material by x-ray absorption spectroscopy and first principles calculations.
In: Journal of Physics: Energy, 5 (3)
doi: 10.1088/2515-7655/acd95b
Article

Gründler, Jonathan ; Lehmann, Knut ; Schiffer, Heinz-Peter (2023)
The Effect of Unsteady Inlet Boundary Conditions on the Aero-Thermal Behavior of High-Pressure Turbine Vanes: A Numerical Study Using Scale-Resolving Simulations.
ASME Turbo Expo 2023: Turbomachinery Technical Conference and Exposition. Boston, Massachusetts, USA (26.06.2023 - 30.06.2023)
doi: 10.1115/GT2023-100884
Conference or Workshop Item

Ghorbani, Elaheh ; Villa, Lorenzo ; Erhart, Paul ; Klein, Andreas ; Albe, Karsten (2022)
Self-consistent calculations of charge self-trapping energies: A comparative study of polaron formation and migration in PbTiO3.
In: Physical Review Materials, 6 (7)
doi: 10.1103/PhysRevMaterials.6.074410
Article

Gazzari, Matthias ; Mattmann, Annemarie ; Maass, Max ; Hollick, Matthias (2022)
My(o) Armband Leaks Passwords: An EMG and IMU Based Keylogging Side-Channel Attack.
In: Proceedings of the ACM on Interactive, Mobile, Wearable and Ubiquitous Technologies, 5 (4)
doi: 10.26083/tuprints-00020660
Article, Secondary publication, Postprint

Gründler, Jonathan ; Schiffer, Heinz-Peter ; Lehmann, Knut (2022)
An Efficient Unsteady 1-Way Coupling Method of Combustor and Turbine.
Turbo Expo 2022: Turbomachinery Technical Conference and Exposition. Rotterdam (13.06.2022 - 17.06.2022)
doi: 10.1115/GT2022-78056
Conference or Workshop Item

Gazzari, Matthias ; Mattmann, Annemarie ; Maass, Max ; Hollick, Matthias (2021)
My(o) Armband Leaks Passwords: An EMG and IMU Based Keylogging Side-Channel Attack.
In: Proceedings of the ACM on Interactive, Mobile, Wearable and Ubiquitous Technologies, 5 (4)
doi: 10.1145/3494986
Article

Guhl, Conrad ; Rohrer, Jochen ; Kehne, Philipp ; Ferber, Thimo ; Alff, Lambert ; Albe, Karsten ; Jaegermann, Wolfram ; Komissinskiy, Philipp ; Hausbrand, René (2021)
The role of covalent bonding and anionic redox for the performance of sodium cobaltate electrode materials.
In: Energy Storage Materials
doi: 10.1016/j.ensm.2021.02.008
Article

Gallenkamp, Charlotte ; Kramm, Ulrike I. ; Krewald, Vera (2021)
Spectroscopic discernibility of dopants and axial ligands in pyridinic FeN4 environments relevant to single-atom catalysts.
In: Chemical Communications, 57
doi: 10.1039/D0CC06237E
Article

Geisenhofer, Markus (2021)
From Shock-Capturing to High-Order Shock-Fitting Using an Unfitted Discontinuous Galerkin Method.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00017526
Ph.D. Thesis, Primary publication, Publisher's Version

Gautam, Ajay ; Sadowski, Marcel ; Ghidiu, Michael ; Minafra, Nicolò ; Senyshyn, Anatoliy ; Albe, Karsten ; Zeier, Wolfgang G. (2020)
Engineering the Site‐Disorder and Lithium Distribution in the Lithium Superionic Argyrodite Li 6 PS 5 Br.
In: Advanced Energy Materials
doi: 10.1002/aenm.202003369
Article

Gong, Qihua ; Yi, Min ; Xu, Bai-Xiang (2020)
Electric field induced magnetization reversal in magnet/insulator nanoheterostructure.
In: International Journal of Smart and Nano Materials, 11 (3)
doi: 10.1080/19475411.2020.1815132
Article

Groszewicz, Pedro B. ; Koch, Leonie ; Steiner, Sebastian ; Ayrikyan, Azatuhi ; Webber, Kyle G. ; Frömling, Till ; Albe, Karsten ; Buntkowsky, Gerd (2020)
The fate of aluminium in (Na,Bi)TiO3-based ionic conductors.
In: Journal of Materials Chemistry A, 8 (35)
doi: 10.1039/D0TA03554H
Article

Ghorbani, Elaheh ; Barragan-Yani, Daniel ; Albe, Karsten (2020)
Towards intermediate-band photovoltaic absorbers: theoretical insights on the incorporation of Ti and Nb in In2S3.
In: npj Computational Materials, 6 (93)
doi: 10.1038/s41524-020-00350-2
Article

Gallenkamp, Charlotte ; Kramm, Ulrike I. ; Proppe, Jonny ; Krewald, Vera (2020)
Calibration of Computational Mössbauer Spectroscopy to Unravel Active Sites in FeNC-Catalysts for the Oxygen Reduction Reaction.
In: International Journal of Quantum Chemistry
doi: 10.1002/qua.26394
Article

Ghorbani, Elaheh (2020)
On efficiency of earth-abundant chalcogenide photovoltaic materials buffered with CdS: The limiting effect of band alignment.
In: Journal of Physics: Energy
doi: 10.1088/2515-7655/ab6942
Article

Gautam, Ajay ; Sadowski, Marcel ; Prinz, Nils ; Eickhoff, Henrik ; Minafra, Nicolò ; Ghidiu, Michael ; Culver, Sean P. ; Albe, Karsten ; Fässler, Thomas F. ; Zobel, Mirijam ; Zeier, Wolfgang G. (2019)
Rapid Crystallization and Kinetic Freezing of Site-Disorder in the Lithium Superionic Argyrodite Li6PS5Br.
In: Chemistry of Materials, 2019 (24)
doi: 10.1021/acs.chemmater.9b03852
Article

Geisenhofer, Markus ; Kummer, Florian ; Müller, Björn (2019)
A discontinuous Galerkin immersed boundary solver for compressible flows: Adaptive local time stepping for artificial viscosity based shock‐capturing on cut cells.
In: International Journal for Numerical Methods in Fluids, 91
doi: 10.1002/fld.4761
Article

Ghorbani, Elaheh ; Erhart, Paul ; Albe, Karsten (2019)
Energy level alignment of Cu(In,Ga)(S,Se)2 absorber compounds with In2S3, NaIn5S8, and CuIn5S8 Cd-free buffer materials.
In: Physical Review Materials, 3 (7)
doi: 10.1103/PhysRevMaterials.3.075401
Article

Geisenhofer, Markus ; Kummer, Florian ; Müller, Björn (2019)
A Discontinuous Galerkin immersed boundary solver for compressible flow: From time efficient shock-capturing to shock-fitting.
7th European Workshop on High Order Numerical Methods for Evolutionary PDEs: Theory and Applications (HONOM 2019). Madrid, Spain (April 1-5, 2019)
Conference or Workshop Item

Ghorbani, Elaheh ; Erhart, Paul ; Albe, Karsten (2019)
New insights on the nature of impurity levels in V-doped In2S3: why is it impossible to obtain a metallic intermediate band?
In: Journal of Materials Chemistry A, 7 (13)
doi: 10.1039/C9TA01629E
Article

Ghorbani, Elaheh ; Albe, Karsten (2018)
Role of oxygen and chlorine impurities in β−In2S3 : A first-principles study.
In: Physical Review B, 98 (20)
doi: 10.1103/PhysRevB.98.205201
Article

Ghorbani, Elaheh ; Albe, Karsten (2018)
Intrinsic point defects in β-In2S3 studied by means of hybrid density-functional theory.
In: Journal of Applied Physics, 123 (10)
doi: 10.1063/1.5020376
Article

Ghorbani, Elaheh ; Albe, Karsten (2018)
Influence of Cu and Na incorporation on the thermodynamic stability and electronic properties of β-In_2S_3.
In: Journal of Materials Chemistry C, 6 (27)
doi: 10.1039/c8tc01341a
Article

Geisenhofer, Markus ; Müller, Björn ; Kummer, Florian (2018)
A Discontinuous Galerkin Immersed Boundary Solver for Compressible Flows: Efficient Time Integration for Artificial Viscosity Based Shock-Capturing.
13th World Congress in Computational Mechanics (WCCM 2018). New York City, USA (July 22-27, 2018)
Conference or Workshop Item

Geisenhofer, Markus ; Krämer-Eis, Stephan ; Müller, Björn (2017)
A high-order Discontinuous Galerkin method using local time stepping to accelerate shock-capturing based on artificial viscosity.
4th International Conference on Computational Engineering (ICCE 2017). Darmstadt, Germany (September 28 - 29, 2017)
Conference or Workshop Item

Geisenhofer, Markus ; Müller, Björn ; Krämer-Eis, Stephan ; Kummer, Florian (2017)
Fictitious domain Discontinuous Galerkin methods for problems with moving boundaries.
eXtended Discretization Methods (X-DMS 2017). Umeå, Sweden (June 19 - 21, 2017)
Conference or Workshop Item

Groszewicz, Pedro B. ; Gröting, Melanie ; Breitzke, Hergen ; Jo, Wook ; Albe, Karsten ; Buntkowsky, Gerd ; Rödel, Jürgen (2016)
Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3.
In: Scientific Reports, 6
doi: 10.1038/srep31739
Article

Goryntsev, D. ; Nishad, Kaushal ; Sadiki, A. ; Janicka, J. (2014)
Application of LES for Analysis of Unsteady Effects on Combustion Processes and Misfires in DISI Engine.
In: Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles, 69 (1)
Article

Ghelfi, Matteo (2013)
Large Eddy Simulation in internal combustion Engine.
TU Darmstadt
Ph.D. Thesis, Primary publication

H

Hück, Alexander ; Jammer, Tim ; Jenke, Joachim ; Bischof, Christian (2023)
Investigating the Usage of MPI at Argument-Granularity in HPC Codes.
30th European MPI Users' Group Meeting (EuroMPI'23). Bristol, United Kingdom (11.-13.09.2023)
doi: 10.1145/3615318.3615322
Conference or Workshop Item

Heppe, Nils ; Gallenkamp, Charlotte ; Paul, Stephen Daniel ; Segura-Salas, Nicole ; Rhein, Niklas von ; Kaiser, Bernd ; Jaegermann, Wolfram ; Jafari, Atefeh ; Sergueev, Ilya ; Krewald, Vera ; Kramm, Ulrike I. (2023)
Substituent effects in iron porphyrin catalysts for the hydrogen evolution reaction.
In: Chemistry – A European Journal, 29 (10)
doi: 10.1002/chem.202202465
Article

Hood, Thomas M. ; Lau, Samantha ; Diefenbach, Martin ; Firmstone, Leah ; Mahon, Mary ; Krewald, Vera ; Webster, Ruth L. (2023)
The Complex Reactivity of [(salen)Fe]2(μ-O) with HBpin and Its Implications in Catalysis.
In: ACS Catalysis, 13
doi: 10.1021/acscatal.3c02898
Article

Hück, Alexander ; Kreutzer, Sebastian ; Protze, Joachim ; Lehr, Jan-Patrick ; Bischof, Christian ; Terboven, Christian ; Müller, Matthias S. (2022)
Compiler-Aided Type Correctness of Hybrid MPI-OpenMP Applications.
In: IT Professional, 24 (2)
doi: 10.1109/MITP.2021.3093949
Article

Haarmann, Lisette ; Rohrer, Jochen ; Albe, Karsten (2021)
On the Origin of Zero Interface Resistance in the Li6.25Al0.25La3Zr2O12|Li0 System: An Atomistic Investigation.
In: ACS Applied Materials & Interfaces, 13 (44)
doi: 10.1021/acsami.1c15400
Article

Höfling, Marion ; Zhou, Xiandong ; Riemer, Lukas M. ; Bruder, Enrico ; Liu, Binzhi ; Zhou, Lin ; Groszewicz, Pedro B. ; Zhuo, Fangping ; Xu, Bai-Xiang ; Durst, Karsten ; Tan, Xiaoli ; Damjanovic, Dragan ; Koruza, Jurij ; Rödel, Jürgen (2021)
Control of polarization in bulk ferroelectrics by mechanical dislocation imprint.
In: Science (New York, N.Y.), 372 (6545)
doi: 10.1126/science.abe3810
Article

Haarmann, Liesette ; Albe, Karsten (2021)
From ionic to superionic conductivity: The influence of cation order on sodium diffusion in Na3Zr2Si2PO12.
In: Solid state ionics, 363
doi: 10.1016/j.ssi.2021.115604
Article

Hück, Alexander ; Protze, Joachim ; Lehr, Jan-Patrick ; Terboven, Christian ; Bischof, Christian ; Müller, Matthias S. (2021)
Towards compiler-aided correctness checking of adjoint MPI applications.
2020 IEEE/ACM 4th International Workshop on Software Correctness for HPC Applications (Correctness). (11.11.2020)
doi: 10.26083/tuprints-00018889
Conference or Workshop Item, Secondary publication, Preprint

Hück, Alexander (2020)
Compiler Support for Operator Overloading and Algorithmic Differentiation in C++.
Technische Universität
doi: 10.25534/tuprints-00011522
Ph.D. Thesis, Primary publication

Hück, Alexander ; Protze, Joachim ; Lehr, Jan-Patrick ; Terboven, Christian ; Bischof, Christian ; Müller, Matthias S. (2020)
Towards compiler-aided correctness checking of adjoint MPI applications.
4th International Workshop on Software Correctness for HPC Applications (Correctness). Virtual Conference (09.-19.11.2020)
doi: 10.1109/Correctness51934.2020.00010
Conference or Workshop Item

Hück, Alexander ; Lehr, Jan-Patrick ; Kreutzer, Sebastian ; Protze, Joachim ; Terboven, Christian ; Bischof, Christian ; Müller, Matthias S. (2018)
Compiler-aided type tracking for correctness checking of MPI applications.
2nd International Workshop on Software Correctness for HPC Applications (Correctness). Dallas, TX, USA (11.-16. Nov. 2018)
doi: 10.1109/Correctness.2018.00011
Conference or Workshop Item

Hück, Alexander ; Kreutzer, Sebastian ; Messig, Danny ; Scholtissek, Arne ; Bischof, Christian ; Hasse, Christian
eds.: Shi, Y. ; Fu, H. ; Tian, Y. ; Krzhizhanovskaya, V. V. ; Lees, M. H. ; Sloot, P. M. A. (2018)
Application of Algorithmic Differentiation for Exact Jacobians to the Universal Laminar Flame Solver.
In: Computational Science – ICCS 2018
doi: 10.1007/978-3-319-93713-7_43
Book Section

Hück, Alexander ; Bischof, Christian ; Sagebaum, Max ; Gauger, Nicolas R. ; Jurgelucks, Benjamin ; Larour, Eric ; Perez, Gilberto (2017)
A usability case study of algorithmic differentiation tools on the ISSM ice sheet model.
In: Optimization Methods and Software, 33 (4-6)
doi: 10.1080/10556788.2017.1396602
Article

Huang, Xin ; Schäfer, Michael
eds.: Papadrakakis, M. ; Oñate, E. ; Schrefler, B. (2017)
Investigation of Advanced Turbulence Modeling Approaches for Aeroacoustic Problems.
In: COUPLED PROBLEMS 2017, VII International Conference on Computational Methods for Coupled Problems in Science and Engineering
Book Section

Hück, Alexander ; Utke, Jean ; Bischof, Christian (2016)
Source Transformation of C++ Codes for Compatibility with Operator Overloading.
In: Procedia Computer Science, 80
Article

Huang, Xin ; Schäfer, Michael
eds.: Papadrakakis, M. ; Papadopoulos, V. ; Stefanou, G. ; Plevris, V. (2016)
On the simulation of aerodynamic noise with different turbulence models.
In: ECCOMAS Congress 2016, VII European Congress on Computational Methods in Applied Sciences and Engineering
Book Section

Hück, Alexander ; Bischof, Christian ; Utke, Jean (2015)
Checking C++ Codes for Compatibility with Operator Overloading.
In: 2015 IEEE 15th International Working Conference on Source Code Analysis and Manipulation (SCAM), 15
Article

Hück, Alexander ; Willkomm, J. ; Bischof, Christian
eds.: Mehl, Miriam ; Bischoff, Manfred ; Schäfer, Michael (2015)
Source Transformation for the Optimized Utilization of the Matlab Runtime System for Automatic Differentiation.
In: Recent Trends in Computational Engineering - CE2014
Book Section

He, C. ; Yildar, Esra ; Kuenne, G. ; Di Mare, F. ; Sadiki, A. ; Janicka, J. (2014)
LES of a spark ignition engine using artificial thickening and flamelet generated manifolds.
LES for Internal Combustion Engine Flows (LES4ICE conference). Rueil-Malmaison, France
Conference or Workshop Item

I

Iwainsky, Christian ; Bischof, Christian (2016)
Call Tree Controlled Instrumentation for Low-Overhead Survey Measurements.
2016 IEEE International Parallel and Distributed Processing Symposium Workshop (IPDPSW).
Conference or Workshop Item

Iwainsky, Christian ; Lehr, Jan-Patrick ; Bischof, Christian (2014)
Compiler Supported Sampling through Minimalistic Instrumentation.
Fifth International Workshop on Parallel Software Tools and Tool Infrastructures (PSTI 2014). Minneapolis, MN, USA (9-12 Sept. 2014)
doi: 10.1109/ICPPW.2014.33
Conference or Workshop Item

J

Jammer, Tim ; Bischof, Christian (2022)
Compiler-enabled optimization of persistent MPI Operations.
SC22: The International Conference for High Performance Computing, Networking, Storage and Analysis. Dallas, USA (13.-18.11.2022)
doi: 10.1109/ExaMPI56604.2022.00006
Conference or Workshop Item

Jammer, Tim ; Bischof, Christian (2021)
Automatic Partitioning of MPI Operations in MPI+OpenMP Applications.
36th ISC High Performance Conference. virtual Conference (24.06.-02.07.2021)
doi: 10.1007/978-3-030-90539-2_12
Conference or Workshop Item

Jammer, Tim ; Iwainsky, Christian ; Bischof, Christian
eds.: Jagode, Heike ; Anzt, Hartwig ; Juckeland, Guido ; Ltaief, Hatem (2020)
Automatic Detection of MPI Assertions.
35th International ISC High Performance 2020 Conference. Frankfurt, Germany (21.- 25.06.2020)
doi: 10.1007/978-3-030-59851-8_3
Conference or Workshop Item

Jammer, Tim ; Iwainsky, Christian ; Bischof, Christian
eds.: Malawsk, Maciej ; Krzysztof, Rzadca (2020)
A Comparison of the Scalability of OpenMP Implementations.
26th International Conference on Parallel and Distributed Computing (Euro-Par 2020). Virtual Conference (24.-28.08.)
doi: 10.1007/978-3-030-57675-2_6
Conference or Workshop Item

Jäger, Armin ; Lehr, Jan-Patrick ; Bischof, Christian (2018)
The influence of two modern compiler infrastructures on the energy consumption of the HPCG benchmark.
In: Computer Science - Research and Development
doi: 10.1007/s00450-018-0393-8
Article

Jacobs, Grischa ; Weiland, Thomas ; Bischof, Christian (2015)
A Parallel Particle-In-Cell Code for Heterogenous Hardware.
Proceedings of the 20th Conference on the Computation of Electromagnetic Fields.
Conference or Workshop Item

Janicka, J. ; Kühne, J. ; Kuenne, G. ; Ketelheun, Anja
eds.: Janicka, J. ; Sadiki, A. ; Schäfer, M. ; Heeger, C. (2013)
Large Eddy Simulation of Combustion Systems at Gas Turbine Conditions.
In: Flow and Combustion in Advanced Gas Turbine Combustors - Fluid Mechanics and Its Application
Book Section

K

Klein, Jonas (2023)
Schnittgrößenverteilung in statisch unbestimmten Betonbauteilen mit nichtmetallischer Bewehrung - Untersuchungen zur Zuverlässigkeit von Durchlaufsystemen großer Biegeschlankheit im Grenzzustand der Tragfähigkeit.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00024569
Ph.D. Thesis, Primary publication, Publisher's Version

Klomp, Arne J. ; Porz, Lukas ; Albe, Karsten (2023)
The nature and motion of deformation-induced dislocations in SrTiO3: Insights from atomistic simulations.
In: Acta Materialia, 242
doi: 10.1016/j.actamat.2022.118404
Article

Klomp, Arne J. ; Khachaturyan, Ruben ; Wallis, Theophilus ; Albe, Karsten ; Grünebohm, Anna (2022)
Thermal stability of nanoscale ferroelectric domains by molecular dynamics modeling.
In: Physical Review Materials, 6 (10)
doi: 10.1103/PhysRevMaterials.6.104411
Article

Krüger, Benno ; Dammel, Frank ; Stephan, Peter (2022)
Modeling a large thermal energy storage system using RANS turbulence models and high-resolution measurement data.
MCM'22. Prag (31.07.-02.08.2022)
doi: 10.11159/htff22.157
Conference or Workshop Item

Koch, Leonie ; Steiner, Sebastian ; Hoang, An-Phuc ; Klomp, Arne J. ; Albe, Karsten ; Frömling, Till (2022)
Revealing the impact of acceptor dopant type on the electrical conductivity of sodium bismuth titanate.
In: Acta Materialia, 229
doi: 10.1016/j.actamat.2022.117808
Article

Klomp, Arne J. ; Stukowski, Alexander ; Müller, Ralf ; Albe, Karsten ; Diewald, Felix (2021)
Influence of surface stress on the mechanical response of nanoporous metals studied by an atomistically informed continuum model.
In: Acta Materialia, 221
doi: 10.1016/j.actamat.2021.117373
Article

Kolos, Jürgen M. ; Pomplun, Sebastian ; Jung, Sascha ; Rieß, Benedikt ; Purder, Patrick L. ; Voll, Andreas M. ; Merz, Stephanie ; Gnatzy, Monika ; Geiger, Thomas M. ; Quist-Løkken, Ingrid ; Jatzlau, Jerome ; Knaus, Petra ; Holien, Toril ; Bracher, Andreas ; Meyners, Christian ; Czodrowski, Paul ; Krewald, Vera ; Hausch, Felix (2021)
Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
In: Chemical Science, 12 (44)
doi: 10.1039/D1SC04638A
Article

Keil, Tom ; Utt, Daniel ; Bruder, Enrico ; Stukowski, Alexander ; Albe, Karsten ; Durst, Karsten (2021)
Solid solution hardening in CrMnFeCoNi-based high entropy alloy systems studied by a combinatorial approach.
In: Journal of Materials Research, 2021
doi: 10.1557/s43578-021-00205-6
Article

Kalcher, Constanze ; Adjaoud, Omar ; Albe, Karsten (2020)
Creep Deformation of a Cu-Zr Nanoglass and Interface Reinforced Nanoglass-Composite Studied by Molecular Dynamics Simulations.
In: Frontiers in Materials
doi: 10.3389/fmats.2020.00223
Article

Kottke, Josua ; Utt, Daniel ; Laurent-Brocq, Mathilde ; Fareed, Adnan ; Gaertner, Daniel ; Perrière, Loïc ; Rogal, Łukasz ; Stukowski, Alexander ; Albe, Karsten ; Divinski, Sergiy V. ; Wilde, Gerhard (2020)
Experimental and theoretical study of tracer diffusion in a series of (CoCrFeMn)100−xNi alloys.
In: Acta Materialia, 194
doi: 10.1016/j.actamat.2020.05.037
Article

Kalcher, Constanze ; Brink, Tobias ; Rohrer, Jochen ; Stukowski, Alexander ; Albe, Karsten (2019)
Elastostatic loading of metallic glass-crystal nanocomposites: Relationship of creep rate and interface energy.
In: Physical Review Materials, 3 (93605)
doi: 10.1103/PhysRevMaterials.3.093605
Article

Kalcher, Constanze (2019)
Creep of Cu-Zr metallic glasses and metallic glass composites: A molecular dynamics study.
Technische Universität
Ph.D. Thesis, Primary publication

Krause, Dennis ; Kummer, Florian (2018)
A 3D Discontinuous Galerkin Cut Cell Immersed Boundary Method: Results and a View on Parallel Efficiency.
13th World Congress in Computational Mechanics (WCCM 2018). New York City, USA (July 22-27, 2018)
Conference or Workshop Item

Kikker, Anne ; Kummer, Florian (2018)
A High-order Local Discontinuous Galerkin Scheme for Viscoelastic Oldroyd B Fluid Flow.
13th World Congress in Computational Mechanics (WCCM 2018). New York City, USA (July 22-27, 2018)
Conference or Workshop Item

Kalcher, Constanze ; Brink, Tobias ; Rohrer, Jochen ; Stukowski, Alexander ; Albe, Karsten (2017)
Interface-controlled creep in metallic glass composites.
In: Acta Materialia, 141
doi: 10.1016/j.actamat.2017.08.058
Article

Koch, Leonie ; Granberg, Fredric ; Brink, Tobias ; Utt, Daniel ; Albe, Karsten ; Djurabekova, Flyura ; Nordlund, Kai (2017)
Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system.
In: Journal of Applied Physics, 122 (10)
Article

Kalcher, Constanze ; Adjaoud, Omar ; Rohrer, Jochen ; Stukowski, Alexander ; Albe, Karsten (2017)
Reinforcement of nanoglasses by interface strengthening.
In: Scripta Materialia, 141
Article

Koch, Leonie ; Steiner, Sebastian ; Meyer, Kai-Christian ; Seo, In-Tae ; Albe, Karsten ; Frömling, Till (2017)
Ionic conductivity of acceptor doped sodium bismuth titanate: influence of dopants, phase transitions and defect associates.
In: Journal of Materials Chemistry C, 5 (35)
doi: 10.1039/C7TC03031B
Article

Krause, Dennis ; Kummer, Florian ; Oberlack, Martin (2017)
A three dimensional cut cell immersed boundary solver based on the discontinuous Galerkin method.
3rd International Conference on Numerical Methods in Multiphase Flows (ICNMMF-III). Tokyo, Japan (June 26 - 29, 2017)
Conference or Workshop Item

Kondratyuk, Anastasia ; Schäfer, Michael ; Ali, A.
eds.: Papadrakakis, M. ; Papadopoulos, V. ; Stefanou, G. ; Plevris, V. (2016)
Investigation of the flow over an oscillating cylinder with the very large eddy simulation model.
In: ECCOMAS Congress 2016, VII European Congress on Computational Methods in Applied Sciences and Engineering
Book Section

Krämer-Eis, Stephan ; Müller, Björn ; Kummer, Florian (2016)
High-order numerical simulation of compressible flows with immersed boundaries: The unsteady case.
12th World Congress on Computational Mechanics (WCCM 2016). Seoul, Korea (July 24 - 29, 2016)
Conference or Workshop Item

Klein, Benedikt ; Müller, Björn ; Kummer, Florian ; Oberlack, Martin (2016)
A high-order Discontinuous Galerkin solver for low-Mach number flows.
In: International Journal for Numerical Methods in Fluids, 81 (8)
Article

Koch, Leonie (2015)
Computer simulations of ordering effects and dislocation structures in high entropy alloys.
TU Darmstadt
Master Thesis

Krämer-Eis, Stephan ; Müller, Björn ; Oberlack, Martin (2015)
Efficient Discontinuous Galerkin methods with local time stepping for immersed boundary problems.
eXtended Discretization Methods (X-DMS 2015). Ferrara, Italy
Conference or Workshop Item

Klein, Benedikt ; Müller, Björn ; Kummer, Florian ; Oberlack, Martin (2015)
A segregated implicit high-order Discontinuous Galerkin solver for variable density flows at low Mach numbers.
European Workshop on High Order Nonlinear Numerical Methods for Evolutionary PDEs: Theory and Applications (HONOM-2015). Trento, Italy (2015)
Conference or Workshop Item

Kuenne, Guido ; Euler, Matthias ; Ketelheun, Anja ; Avdic, Amer ; Dreizler, Andreas ; Janicka, J. (2015)
A Numerical Study of the Flame Stabilization Mechanism Being Determined by Chemical Reaction Rates Submitted to Heat Transfer Processes.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 229 (5)
Article

Klein, Benedikt (2015)
A high-order Discontinuous Galerkin solver for incompressible and low-Mach number flows.
Technische Universität
Ph.D. Thesis, Primary publication

Kneissl, S. ; Sternel, Dörte C. ; Schäfer, Michael
eds.: Mehl, Miriam ; Bischoff, M. ; Schäfer, Michael (2015)
Parallel Algorithm for Solution-Adaptive Grid Movement in the Context of Fluid-Structure Interaction.
In: Recent Trends in Computational Engineering – CE2014
Book Section

Kondratyuk, A. ; Schäfer, Michael
eds.: Onate, E. ; Papadrakakis, M. ; Schrefler, B. (2015)
A new very large eddy simulation model in the context of fluid-structure interaction.
In: Coupled Problems in Science and Engineering VI
Book Section

Kondratyuk, Anastasia ; Schäfer, Michael ; Jakirlić, Suad (2015)
Comparative assessment of grid-spacing-based filter width formulations for Very Large Eddy Simulation.
15th European Turbulence Conference (ETC15). Delft, The Netherlands (August 25-28, 2015)
Conference or Workshop Item

Ketelheun, Anja (2014)
Development of Tabulated Chemistry Methods for the Accurate Simulation of Turbulent Combustion Systems.
TU Darmstadt
Ph.D. Thesis

Kneissl, S. ; Sternel, Dörte C. ; Schäfer, Michael
eds.: Onate, E. ; Oliver, J. ; Huerta, A. (2014)
Solution-adaptive grid resolution for fluid-structure interaction.
In: 11th World Congress on Computational Mechanics (WCCM XI), 5th European Congress on computational Mechanics (ECCM V), 6th European Conference on Computational Fluid Dynamics
Book Section

Ketelheun, Anja ; Kuenne, Guido ; Janicka, J. (2013)
Heat Transfer Modeling in the Context of Large Eddy Simulation of Premixed Combustion with Tabulated Chemistry.
In: Flow, Turbulence and Combustion, 91 (4)
Article

Kuenne, G. ; Aschmoneit, Kai ; Ketelheun, Anja ; Janicka, J. (2013)
Large Eddy Simulation of Swirl Stabilized Lean Premixed Combustion Using Structured and Unstructured Solvers.
SIAM International Conference on Numerical Combustion. San Antonio, USA
Conference or Workshop Item

Kneissl, S. ; Sternel, D. C. ; Schäfer, M. ; Patangi, P. ; Sadiki, A. ; Janicka, J.
eds.: Janicka, J. ; Sadiki, A. ; Schäfer, M. ; Heeger, C. (2013)
Integral Model for Simulating Gas Turbine Combustion Chambers.
In: Flow and Combustion in Advanced Gas Turbine Combustors
Book Section

L

Lin, Binbin ; Medghalchi, Setareh ; Korte-Kerzel, Sandra ; Xu, Bai-Xiang (2023)
A Machine Learning Enabled Image‐data‐driven End‐to‐end Mechanical Field Predictor For Dual‐Phase Steel.
In: PAMM - Proceedings in Applied Mathematics and Mechanics, 22 (1)
doi: 10.1002/pamm.202200110
Article

Lin, Binbin ; Emami, Nima ; Santos, David A. ; Luo, Yuting ; Banerjee, Sarbajit ; Xu, Bai-Xiang (2022)
A deep learned nanowire segmentation model using synthetic data augmentation.
In: npj Computational Materials, 8 (1)
doi: 10.1038/s41524-022-00767-x
Article

Liu, Yao ; Yu, Wen-Bei ; Xu, Bai-Xiang (2022)
Impedance modelling of all-solid-state thin film batteries: influence of the reaction kinetics.
In: Journal of Materials Chemistry A, 10 (1)
doi: 10.1039/D1TA07484A
Article

Lin, Binbin ; Auernhammer, Julia ; Schäfer, Jan-Lukas ; Meckel, Tobias ; Stark, Robert ; Biesalski, Markus ; Xu, Bai-Xiang (2022)
Humidity influence on mechanics of paper materials: joint numerical and experimental study on fiber and fiber network scale.
In: Cellulose, 29 (2)
doi: 10.1007/s10570-021-04355-y
Article

Liu, Tianyi ; Tillmann, Andreas M. ; Yang, Yang ; Eldar, Yonina C. ; Pesavento, Marius (2022)
Extended Successive Convex Approximation for Phase Retrieval with Dictionary Learning.
In: IEEE Transactions on Signal Processing, 70
doi: 10.1109/TSP.2022.3233253
Article

Lehr, Jan-Patrick ; Bischof, Christian ; Dewald, Florian ; Mantel, Heiko ; Norouzi, Mohammad ; Wolf, Felix (2021)
Tool-Supported Mini-App Extraction to Facilitate Program Analysis and Parallelization.
50th International Conference on Parallel Processing (ICPP 2021). virtual Conference (09.-12.08.2021)
doi: 10.1145/3472456.3472521
Conference or Workshop Item

Liu, Zhen ; Zhou, Xiandong ; Feng, Biao ; Xu, Bai-Xiang (2021)
Engineered periodic quadrupole superstructure in ferroelectric thin films via flexoelectricity.
In: Acta Materialia, 216
doi: 10.1016/j.actamat.2021.117126
Article

Liu, Yao ; Bai, Yang ; Jaegermann, Wolfram ; Hausbrand, René ; Xu, Bai-Xiang (2021)
Impedance Modeling of Solid-State Electrolytes: Influence of the Contacted Space Charge Layer.
In: ACS Applied Materials & Interfaces, 13 (4)
doi: 10.1021/acsami.0c22986
Article

Lehr, Jan-Patrick ; Jammer, Tim ; Bischof, Christian (2021)
MPI-CorrBench: Towards an MPI Correctness Benchmark Suite.
30th International Symposium on High-Performance Parallel and Distributed Computing. virtual Conference (21.-25.06.2021)
doi: 10.1145/3431379.3460652
Conference or Workshop Item

Lehr, Jan-Patrick ; Hück, Alexander ; Fischler, Yannic ; Bischof, Christian (2020)
MetaCG : Annotated call-graphs to facilitate whole-program analysis.
SPLASH '20: Conference on Systems, Programming, Languages, and Applications, Software for Humanity. Virtual Conference (15.-21.11.)
doi: 10.1145/3427764.3428320
Conference or Workshop Item

Lehr, Jan-Patrick ; Hück, Alexander ; Fischer, Moritz ; Bischof, Christian
eds.: Jagode, Heike ; Anzt, Hartwig ; Juckeland, Guido ; Ltaief, Hatem (2020)
Compiler-Assisted Type-Safe Checkpointing.
35th International Conference on High Performance 2020 Computing. Frankfurt, Germany (21.-25.06.)
doi: 10.1007/978-3-030-59851-8_1
Conference or Workshop Item

Lin, Binbin ; Bai, Yang ; Xu, Bai-Xiang (2020)
Data-driven microstructure sensitivity study of fibrous paper materials.
In: Materials and design, 197
doi: 10.1016/j.matdes.2020.109193
Article

Lehr, Jan-Patrick ; Calotoiu, Alexandru ; Wolf, Felix ; Bischof, Christian (2019)
Automatic Instrumentation Refinement for Empirical Performance Modeling.
International Workshop on Programming and Performance Visualization Tools (ProTools'19). Denver, USA (17.November 2019)
doi: 10.1109/ProTools49597.2019.00011
Conference or Workshop Item

Lehr, Jan-Patrick ; Hück, Alexander ; Bischof, Christian (2018)
PIRA: Performance Instrumentation Refinement Automation.
Proceedings of the 5th ACM SIGPLAN International Workshop on Artificial Intelligence and Empirical Methods for Software Engineering and Parallel Computing Systems. Boston, MA, USA
doi: 10.1145/3281070.3281071
Conference or Workshop Item

Lehr, Jan-Patrick ; Iwainsky, Christian ; Bischof, Christian (2017)
The Influence of HPCToolkit and Score-p on Hardware Performance Counters.
Proceedings of the 4th ACM SIGPLAN International Workshop on Software Engineering for Parallel Systems. Vancouver, BC, Canada
doi: 10.1145/3141865.3141869
Conference or Workshop Item

Lepple, Maren ; Rohrer, Jochen ; Adam, Robert ; Cupid, Damian M. ; Rafaja, David ; Albe, Karsten ; Seifert, Hans J. (2017)
Thermochemical stability of Li–Cu–O ternary compounds stable at room temperature analyzed by experimental and theoretical methods.
In: International Journal of Materials Research, 108 (11)
doi: 10.3139/146.111560
Article

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten (2017)
Cohesive strength of zirconia/molybdenum interfaces and grain boundaries in molybdenum: A comparative study.
In: Acta Materialia
Article

Liu, M. ; Bothe, D. (2016)
Numerical study of head-on droplet collisions at high Weber numbers.
In: Journal of Fluid Mechanics, 789
Article

Lehr, Jan-Patrick (2016)
Counting Performance: Hardware Performance Counter and Compiler Instrumentation.
Informatik 2016, 46. Jahrestagung der Gesellschaft für Informatik, 26.-30. September 2016, Klagenfurt, Österreich.
Conference or Workshop Item

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten (2015)
Atomistic modelling of zirconium and silicon segregation at twist and tilt grain boundaries in molybdenum.
In: Journal of Materials Science, 51
Article

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten (2015)
Solubility of zirconium and silicon in molybdenum studied by first-principles calculations.
In: Scripta Materialia, 97
Article

Linder, Nicklas (2015)
Numerical Simulation of Complex Wetting.
TU Darmstadt
Ph.D. Thesis, Primary publication

Lück, Hannes (2015)
Simulation und Optimierung der Turbinenkühlung unter Berücksichtigung der thermischen Fluid-Struktur-Interaktion.
TU Darmstadt
Ph.D. Thesis

Linder, Nicklas ; Criscione, Antonio ; Roisman, Ilia V. ; Marschall, Holger ; Tropea, Cameron (2015)
3D computation of an incipient motion of a sessile drop on a rigid surface with contact angle hysteresis.
In: Theoretical and Computational Fluid Dynamics, 29 (5-6)
Article

Lück, Hannes ; Schäfer, Michael ; Schiffer, Heinz-Peter
eds.: Onate, E. ; Oliver, J. ; Huerta, A. (2014)
Thermal fluid-structure interaction based optimization of secondary air flows in rotor stator cavities of aircraft engines.
In: 11th World Congress on Computational Mechanics (WCCM XI), 5th European Congress on computational Mechanics (ECCM V), 6th European Conference on Computational Fluid Dynamics
Book Section

Linder, Nicklas ; Roisman, Ilia ; Marschall, Holger ; Tropea, Cameron (2013)
Numerical Simulation of Pinning Droplets.
International Conference on Liquid Atomization and Spray System, ILASS. Chania, Crete
Conference or Workshop Item

Linder, Nicklas ; Roisman, Ilia ; Marschall, Holger ; Tropea, Cameron (2013)
A local Robin type Boundary Condition applied to the Phase Fraction to simulate Moving and Pinning Contact Lines.
8th OpenFOAM Workshop. Jeju, Korea
Conference or Workshop Item

M

Machkour, J. ; Muma, M. ; Palomar, D. P. (2021)
The Terminating-Knockoff Filter: Fast High-Dimensional Variable Selection with False Discovery Rate Control.
doi: 10.48550/arXiv.2110.06048
Report

Mehrnia, Seyedmajid ; Pelz, P. F. (2021)
Slip length of branched hydrocarbon oils confined between iron surfaces.
In: Journal of Molecular Liquids, 336
doi: 10.1016/j.molliq.2021.116589
Article

Moitzi, F. ; Şopu, D. ; Holec, D. ; Perera, D. ; Mousseau, N. ; Eckert, J. (2020)
Chemical bonding effects on the brittle-to-ductile transition in metallic glasses.
In: Acta Materialia, 188
doi: 10.1016/j.actamat.2020.02.002
Article

Mock, Markus ; Albe, Karsten (2018)
Modelling of dislocation-solute interaction in ODS steels : analytic bond-order potential for the iron-yttrium system.
In: Journal of Nuclear Materials, 509
doi: 10.1016/j.jnucmat.2018.06.026
Article

May, Jan ; Alobaid, Falah ; Ohlemüller, Peter ; Stroh, Alexander ; Ströhle, Jochen ; Epple, Bernd (2018)
Reactive two–fluid model for chemical–looping combustion – Simulation of fuel and air reactors.
In: International Journal of Greenhouse Gas Control, 76
doi: 10.1016/j.ijggc.2018.06.023
Article

May, Jan ; Heinze, Christian ; Peters, Jens ; Ströhle, Jochen ; Epple, Bernd (2018)
Entwicklung und Validierung eines 3D-Simulationsmodells für die Kohlevergasung in einer Wirbelschicht.
DECHEMA - Jahrestreffen der ProcessNet-Fachgruppen Mehrphasenströmungen (MPH), Wärme- und Stoffübertragung (WSUE), Computional Fluid Dynamics (CFD), Hochtemperaturtechnik (HTT), Abfallbehandlung und Wertstoffrückgewinnung (AuW), Kristallisation. Bremen (06.-09.03.2018)
Conference or Workshop Item

Moradabadi, Ashkan ; Kaghazchi, Payam ; Rohrer, Jochen ; Albe, Karsten (2018)
Influence of elastic strain on the thermodynamics and kinetics of lithium vacancy in bulk LiCoO2.
In: Physical Review Materials, 2 (1)
doi: 10.1103/PhysRevMaterials.2.015402
Article

Mehr, Oliver
ed.: Fenner, Jörg (2017)
Positionierung und Orientierung im Bauwerksmodell durch maschinelles Lernen.
In: Festschrift zum 60. Geburtstag von Univ.-Prof. Dr.-Ing. Christoph Motzko
Book Section

Meyer, Kai-Christian ; Koch, Leonie ; Albe, Karsten (2017)
Phase transformations in the relaxor Na_1/2 Bi_1/2 TiO_3 studied by means of density functional theory calculations.
In: Journal of the American Ceramic Society, 101 (1)
Article

Mock, Markus ; Albe, Karsten (2017)
Diffusion of yttrium in bcc-iron studied by kinetic Monte Carlo simulations.
In: Journal of Nuclear Materials, 494
doi: 10.1016/j.jnucmat.2017.07.021
Article

Müller, Björn ; Kummer, Florian ; Utz, Thomas ; Krämer-Eis, Stephan (2017)
Temporal integration in the presence of moving immersed boundaries: Splitting and beyond.
European Workshop on High Order Nonlinear Numerical Methods for Evolutionary PDEs: Theory and Applications (HONOM 2017). Stuttgart, Germany (March 27 - 31, 2017)
Conference or Workshop Item

Müller, Björn ; Krämer-Eis, Stephan ; Kummer, Florian ; Oberlack, Martin (2017)
A high-order Discontinuous Galerkin method for compressible flows with immersed boundaries.
In: International Journal for Numerical Methods in Engineering, 110 (1)
Article

Meyer, Kai-Christian ; Albe, Karsten (2017)
Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na_1/2Bi_1/2TiO_3.
In: J. Mater. Chem. A, 5 (9)
Article

Ma, Yang-Bin ; Grünebohm, Anna ; Meyer, Kai-Christian ; Albe, Karsten ; Xu, Bai-Xiang (2016)
Positive and negative electrocaloric effect in BaTiO3 in the presence of defect dipoles.
In: Physical Review B, 94 (9)
Article

Müller, Björn ; Krämer-Eis, Stephan ; Kummer, Florian (2016)
High-order numerical simulation of compressible flows with immersed boundaries: The steady case.
12th World Congress on Computational Mechanics (WCCM 2016). Seoul, Korea (July 24 - 29, 2016)
Conference or Workshop Item

Moradabadi, Ashkan ; Kaghazchi, Payam (2016)
Thermodynamics and kinetics of defects in Li2S.
In: Applied Physics Letters, 108 (21)
Article

Müller, Björn ; Krämer-Eis, Stephan ; Kummer, Florian ; Oberlack, Martin (2016)
Promises and pitfalls of higher order immersed boundary methods.
Joint Annual Meeting of GAMM and DMV (GAMM 2016). Braunschweig, Germany (7-11 March 2016)
Conference or Workshop Item

Mariano, Artur ; Laarhoven, Thijs ; Bischof, Christian (2015)
Parallel (Probable) Lock-Free Hash Sieve: A Practical Sieving Algorithm for the SVP.
44th International Conference on Parallel Processing (ICPP 2015). Beijing, China (01.-04.09.)
doi: 10.1109/ICPP.2015.68
Conference or Workshop Item

Meyer, Kai-Christian ; Gröting, Melanie ; Albe, Karsten (2015)
Octahedral tilt transitions in the relaxor ferroelectric Na1/2Bi1/2TiO3.
In: Journal of Solid State Chemistry, 227
Article

Müller, Björn ; Kummer, Florian ; Oberlack, Martin (2015)
Optimally convergent Discontinuous Galerkin methods for problems with immersed interfaces.
European Workshop on High Order Nonlinear Numerical Methods for Evolutionary PDEs: Theory and Applications (HONOM-2015). Trento, Italy
Conference or Workshop Item

Marschall, Holger ; Boden, Stephan ; Lehrenfeld, Christoph ; Falconi, Carlos J. D. ; Hampel, Uwe ; Reusken, Arnold ; Woerner, Martin ; Bothe, Dieter (2014)
Validation of interface capturing and tracking techniques with different surface tension treatments against a Taylor bubble benchmark problem.
In: Computers & Fluids, 102
Article

Müller, Björn ; Kummer, Florian ; Oberlack, Martin (2014)
Higher order numerical simulations of complex inviscid fluids with immersed interfaces.
2nd International Conference on Numerical Methods in Multiphase Flows (ICNMMF-II).
Conference or Workshop Item

Müller, Björn (2014)
Methods for higher order numerical simulations of complex inviscid fluids with immersed boundaries.
TU Darmstadt
Ph.D. Thesis, Primary publication

N

Ni, Lingmei ; Gallenkamp, Charlotte ; Wagner, Stephan ; Bill, Eckhard ; Krewald, Vera ; Kramm, Ulrike I. (2022)
Identification of the Catalytically Dominant Iron Environment in Iron- and Nitrogen-Doped Carbon Catalysts for the Oxygen Reduction Reaction.
In: Journal of the American Chemical Society, 144 (37)
doi: 10.1021/jacs.2c04865
Article

Ni, Lingmei ; Gallenkamp, Charlotte ; Paul, Stephen ; Kübler, Markus ; Theis, Pascal ; Chabbra, Sonia ; Hofmann, Kathrin ; Bill, Eckhard ; Schnegg, Alexander ; Albert, Barbara ; Krewald, Vera ; Kramm, Ulrike I. (2021)
Active Site Identification in FeNC Catalysts and Their Assignment to the Oxygen Reduction Reaction Pathway by In Situ 57Fe Mössbauer Spectroscopy.
In: Advanced Energy and Sustainability Research
doi: 10.1002/aesr.202000064
Article

Nandam, Sree Harsha ; Adjaoud, Omar ; Schwaiger, Ruth ; Ivanisenko, Yulia ; Chellali, Mohammed Reda ; Wang, Di ; Albe, Karsten ; Hahn, Horst (2020)
Influence of topological structure and chemical segregation on the thermal and mechanical properties of Pd-Si nanoglasses.
In: Acta Materialia
doi: 10.1016/j.actamat.2020.03.021
Article

Ngô, Bao-Nam Dinh ; Stukowski, Alexander ; Mameka, Nadiia ; Markmann, Jürgen ; Albe, Karsten ; Weissmüller, Jörg (2015)
Anomalous compliance and early yielding of nanoporous gold.
In: Acta Materialia, 93
Article

Nishad, Kaushal ; Sadiki, A. (2014)
LES Modeling and Simulation of Spray Characteristics of Bio-butanol.
ILASS-Europe 2014. Bremen, Germany
Conference or Workshop Item

Nishad, Kaushal (2013)
Modeling and unsteady simulation of turbulent multi-phase flow including fuel injection in IC-engines.
TU Darmstadt
Ph.D. Thesis, Primary publication

O

Oyedeji, Timileyin David ; Yang, Yangyiwei ; Egger, Herbert ; Xu, Bai-Xiang (2023)
Variational quantitative phase-field modeling of non-isothermal sintering process.
In: Physical Review E, 108
doi: 10.1103/PhysRevE.108.025301
Article

Ohmer, Dominik ; Yi, Min ; Gutfleisch, Oliver ; Xu, Bai-Xiang (2022)
Phase-field modelling of paramagnetic austenite–ferromagnetic martensite transformation coupled with mechanics and micromagnetics.
In: International Journal of Solids and Structures, 238
doi: 10.1016/j.ijsolstr.2021.111365
Article

Ohmer, Dominik ; Yi, Min ; Fries, Maximilian ; Gutfleisch, Oliver ; Xu, Bai-Xiang (2020)
Calculating the magnetocaloric effect in second-order-type material by micromagnetic simulations: A case study on Co2B.
In: Scripta Materialia, 177
doi: 10.1016/j.scriptamat.2019.10.039
Article

Oberlack, Martin ; Kummer, Florian ; Müller, Björn ; Utz, Thomas ; Krämer-Eis, Stephan ; Smuda, Martin ; Krause, Dennis ; Kikker, Anne ; Geisenhofer, Markus (2017)
DG based sharp interface methods for multi-phase problems: numerical challenges, validation difficulties and a forecast to new areas of application.
XIX International Conference on Finite Elements in Flow Problems (FEF 2017). Rome, Italy (April 5 - 7, 2017)
Conference or Workshop Item

P

Papadakis, Michael ; Barrozo, Alexandre ; Delmotte, Léa ; Straistari, Tatiana ; Shova, Sergiu ; Réglier, Marius ; Krewald, Vera ; Bertaina, Sylvain ; Hardré, Renaud ; Orio, Maylis (2023)
How Metal Nuclearity Impacts Electrocatalytic H2 Production in Thiocarbohydrazone-Based Complexes.
In: Inorganics, 11 (4)
doi: 10.3390/inorganics11040149
Article

Poulain, Raphaël ; Rohrer, Jochen ; Hermans, Yannick ; Dietz, Christian ; Brötz, Joachim ; Proost, Joris ; Chatenet, Marian ; Klein, Andreas (2022)
Origin of Surface Reduction upon Water Adsorption on Oriented NiO Thin Films and Its Relation to Electrochemical Activity.
In: Journal of Physical Chemistry C, 126 (3)
doi: 10.1021/acs.jpcc.1c07934
Article

Perera, Delwin ; Rohrer, Jochen (2021)
Semi-analytical approach to transport gaps in polycrystalline graphene.
In: Nanoscale, 13 (16)
doi: 10.1039/d1nr00186h
Article

Porz, Lukas ; Klomp, Arne J. ; Fang, Xufei ; Li, Ning ; Yildirim, Can ; Detlefs, Carsten ; Bruder, Enrico ; Höfling, Marion ; Rheinheimer, Wolfgang ; Patterson, Eric A. ; Gao, Peng ; Durst, Karsten ; Nakamura, Atsutomo ; Albe, Karsten ; Simons, Hugh ; Rödel, Jürgen (2021)
Dislocation-toughened ceramics.
In: Materials Horizons, 2021
doi: 10.1039/D0MH02033H
Article

Perera, Delwin ; Rohrer, Jochen (2018)
Structure sensitivity of electronic transport across graphene grain boundaries.
In: Physical Review B, 98 (15)
doi: 10.1103/PhysRevB.98.155432
Article

Pforr, Florian ; Meyer, Kai-Christian ; Major, Marton ; Albe, Karsten ; Donner, Wolfgang ; Stuhr, Uwe ; Ivanov, Alexandre (2017)
Relaxation of dynamically disordered tetragonal platelets in the relaxor ferroelectric 0.964Na_1/2Bi_1/2TiO_3−0.036BaTi_O3.
In: Physical Review B, 96 (18)
doi: 10.1103/PhysRevB.96.184107
Article

Perera, Delwin (2017)
Influence of hydrogen on the electronic structure of grain boundaries in graphene.
TU Darmstadt
Master Thesis

Perera, Delwin (2015)
Density functional theory calculations on tilt grain boundaries in graphene.
TU Darmstadt
Bachelor Thesis

R

Ruan, Hui ; Rezaei, Shahed ; Yang, Yangyiwei ; Gross, Dietmar ; Xu, Bai-Xiang (2023)
A thermo-mechanical phase-field fracture model: Application to hot cracking simulations in additive manufacturing.
In: Journal of the Mechanics and Physics of Solids
doi: 10.1016/j.jmps.2022.105169
Article

Rezaei, Shahed ; Okoe-Amon, Jacob Niikoi ; Varkey, Cerun Alex ; Asheri, Armin ; Ruan, Hui ; Xu, Bai-Xiang (2023)
A cohesive phase-field fracture model for chemo-mechanical environments: Studies on degradation in battery materials.
In: Theoretical and Applied Fracture Mechanics, 124
doi: 10.1016/j.tafmec.2023.103758
Article

Riegger, Luise M. ; Otto, Svenja-K. ; Sadowski, Marcel ; Jovanovic, Sven ; Kötz, Olaf ; Harm, Sascha ; Balzat, Lucas G. ; Merz, Steffen ; Burkhardt, Simon ; Richter, Felix H. ; Sann, Joachim ; Eichel, Rüdiger-A. ; Lotsch, Bettina V. ; Granwehr, Josef ; Albe, Karsten ; Janek, Jürgen (2022)
Instability of the Li7SiPS8 solid electrolyte at the Lithium metal anode and interphase formation.
In: Chemistry of Materials, 34 (8)
doi: 10.1021/acs.chemmater.1c04302
Article

Rezaei, Shahed ; Asheri, Armin ; Xu, Bai-Xiang (2021)
A consistent framework for chemo-mechanical cohesive fracture and its application in solid-state batteries.
In: Journal of the Mechanics and Physics of Solids, 157
doi: 10.1016/j.jmps.2021.104612
Article

Reimuth, Christoph ; Lin, Binbin ; Yang, Yangyiwei ; Stein, Peter ; Zhou, Xiandong ; Xu, Bai-Xiang (2021)
Chemo-mechanical study of dislocation mediated ion diffusion in lithium-ion battery materials.
In: Journal of Applied Physics, 130 (3)
doi: 10.1063/5.0049502
Article

Rohrer, Jochen ; Albe, Karsten (2021)
Thermodynamic stability and electronic structure of pristine wurtzite ZnO{0001} inversion domain boundaries.
In: Physical Review Materials, 5 (2)
doi: 10.1103/PhysRevMaterials.5.023601
Article

Rupp, Severine ; Plasser, Felix ; Krewald, Vera (2020)
Multi-tier electronic structure analysis of Sita's Mo and W complexes capable of thermal or photochemical N2 splitting.
In: European Journal of Inorganic Chemistry, 2020
doi: 10.1002/ejic.201901304
Article

Rettenmaier, Daniel ; Deising, Daniel ; Marschall, Holger ; Tropea, Cameron (2018)
Kontaktlinien-Modellierung in einer algebraischen Volume-of-Fluid Methode auf unstrukturierten Gittern mit OpenFOAM®.
Jahrestreffen der ProcessNet-Fachgruppen Agglomerations- und Schüttguttechnik, Computational Fluid Dynamics und Mehrphasenströmungen. Bingen, Germany (29.2.-02.03.2016)
Conference or Workshop Item

Rettenmaier, Daniel ; Marschall, Holger ; Tropea, Cameron (2017)
3D Simulation of Pinning of Droplets on Tilted Surfaces with OpenFOAM.
3rd International Conference on Numerical Methods in Multiphase Flows (ICNMMF-III). Tokyo, Japan (June 26-29, 2017)
Conference or Workshop Item

Rohrer, Jochen ; Moradabadi, Ashkan ; Albe, Karsten ; Kaghazchi, Payam (2015)
On the origin of anisotropic lithiation of silicon.
In: Journal of Power Sources, 293
Article

S

Sontheimer, Henrik ; Gholijani, Alireza ; Stephan, Peter ; Gambaryan-Roisman, Tatiana (2023)
Hydrodynamics and heat transport during the vertical coalescence of multiple drops impacting successively onto a hot wall.
In: International Journal of Heat and Mass Transfer, 204
doi: 10.1016/j.ijheatmasstransfer.2023.123856
Article

Schneider, Christian ; Schmidt, Christoph P. ; Neumann, Anton ; Clausnitzer, Moritz ; Sadowski, Marcel ; Harm, Sascha ; Meier, Christoph ; Danner, Timo ; Albe, Karsten ; Latz, Arnulf ; Wall, Wolfgang A. ; Lotsch, Bettina V. (2023)
Effect of Particle Size and Pressure on the Transport Properties of the Fast Ion Conductor t-Li7SiPS8.
In: Advanced Energy Materials
doi: 10.1002/aenm.202203873
Article

Santos, David A. ; Andrews, Justin L. ; Lin, Binbin ; Jesus, Luis R. de ; Luo, Yuting ; Pas, Savannah ; Gross, Michelle A. ; Carillo, Luis ; Stein, Peter ; Ding, Yun ; Xu, Bai-Xiang ; Banerjee, Sarbajit (2022)
Multivariate hyperspectral data analytics across length scales to probe compositional, phase, and strain heterogeneities in electrode materials.
In: Patterns
doi: 10.1016/j.patter.2022.100634
Article

Sontheimer, Henrik ; Schlawitschek, Christiane ; Batzdorf, Stefan ; Stephan, Peter ; Gambaryan-Roisman, Tatiana
eds.: Schulte, Kathrin ; Tropea, Cameron ; Weigand, Bernhard (2022)
Numerical Simulation of Heat Transfer and Evaporation During Impingement of Drops onto a Heated Wall.
In: Droplet Dynamics Under Extreme Ambient Conditions
doi: 10.1007/978-3-031-09008-0_14
Book Section

Schluschaß, Bastian ; Borter, Jan-Hendrik ; Rupp, Severine ; Demeshko, Serhiy ; Herwig, Christian ; Limberg, Christian ; Maciulis, Nicholas A. ; Schneider, Jessica ; Würtele, Christian ; Krewald, Vera ; Schwarzer, Dirk ; Schneider, Sven (2021)
Cyanate Formation via Photolytic Splitting of Dinitrogen.
In: JACS Au - an open access journal of the American Chemical Society, 1 (6)
doi: 10.1021/jacsau.1c00117
Article

Sokolowski, Daniel ; Lehr, Jan-Patrick ; Bischof, Christian ; Salvaneschi, Guido (2020)
Leveraging Hybrid Cloud HPC with Multitier Reactive Programming.
3rd International Workshop on Interoperability of Supercomputing and Cloud Technologies. Virtual Conference (11.11.2020)
doi: 10.1109/SuperCompCloud51944.2020.00010
Conference or Workshop Item

Sharma, S. ; Ohmer, Dominik ; Zintler, Alexander ; Major, Marton ; Radulov, Iliya ; Kunz, Ulrike ; Komissinskiy, Philipp ; Xu, Bai-Xiang ; Zang, H. ; Molina-Luna, Leopoldo ; Skokov, Konstantin P. ; Alff, Lambert (2020)
Induction of uniaxial anisotropy by controlled phase separation in Y-Co thin films.
In: Physical Review B, 102 (1)
doi: 10.1103/PhysRevB.102.014435
Article

Sun, Quan ; Kong, Xiangchen ; Liu, Wei ; Xu, Bai-Xiang ; Hu, Pei ; Gao, Zhonghui (2020)
Flakes-stacked Sn/SnO2/C composite as highly stable anode material for lithium-ion batteries.
In: Journal of Alloys and Compounds, 831
doi: 10.1016/j.jallcom.2020.154677
Article

Stein, Peter ; Wissel, Sebastian ; Xu, Bai-Xiang (2020)
The influence of surface stress on the chemo-mechanical behavior of inverse-opal-structured electrodes for lithium-ion batteries.
In: Journal of The Electrochemical Society, 167 (1)
doi: 10.1149/2.0292001JES
Article

Schilling, Christian ; Ziemba, Marc ; Hess, Christian ; Ganduglia-Pirovano, M. Verónica (2020)
Identification of single-atom active sites in CO oxidation over oxide-supported Au catalysts.
In: Journal of Catalysis, 383
doi: 10.1016/j.jcat.2020.01.022
Article

Stein, Christopher J. ; Pantazis, Dimitrios A. ; Krewald, Vera (2019)
Orbital Entanglement Analysis of Exchange-Coupled Systems.
In: The Journal of Physical Chemistry Letters, 10
doi: 10.1021/acs.jpclett.9b02417
Article

Steinhäuser, L. ; Coumont, M. ; Weck, S. ; Hanson, J. (2019)
Comparison of RMS and EMT Models of Converter-Interfaced Distributed Generation Units Regarding Analysis of Short-Term Voltage Stability.
NEIS 2019. Hamburg (Germany) (19.-20.09.2019)
Conference or Workshop Item

Schwehr, Julian ; Knaust, Moritz ; Willert, Volker (2019)
How to Evaluate Object-of-Fixation Detection.
IEEE Intelligent Vehicles Symposium (IV). Paris, France (June 9-12, 2019)
Conference or Workshop Item

Schilling, Christian ; Hess, Christian (2019)
Elucidating the Role of Support Oxygen in the Water–Gas Shift Reaction over Ceria-Supported Gold Catalysts Using Operando Spectroscopy.
In: ACS Catalysis
doi: 10.1021/acscatal.8b04536
Article

Stein, Peter ; Moradabadi, Ashkan ; Diehm, P. Manuel ; Xu, Bai-Xiang ; Albe, Karsten (2018)
The influence of anisotropic surface stresses and bulk stresses on defect thermodynamics in LiCoO2 nanoparticles.
In: Acta Materialia, 159
doi: 10.1016/j.actamat.2018.07.046
Article

Sopu, D. ; Albe, K. ; Eckert, J. (2018)
Metallic glass nanolaminates with shape memory alloys.
In: Acta Materialia, 159
doi: 10.1016/j.actamat.2018.08.034
Article

Sadowski, Marcel ; Sicolo, Sabrina ; Albe, Karsten (2018)
Defect thermodynamics and interfacial instability of crystalline Li_4P_2S_6.
In: Solid State Ionics, 319
doi: 10.1016/j.ssi.2018.01.047
Article

Sicolo, Sabrina ; Kalcher, Constanze ; Sedlmaier, Stefan J. ; Janek, Jürgen ; Albe, Karsten (2018)
Diffusion mechanism in the superionic conductor Li 4 PS 4 I studied by first-principles calculations.
In: Solid State Ionics, 319
doi: 10.1016/j.ssi.2018.01.046
Article

Stroh, Alexander ; Alobaid, Falah ; Bohnstein, Maximilian von ; Ströhle, Jochen ; Epple, Bernd (2018)
Numerical CFD simulation of 1 MWth circulating fluidized bed using the coarse grain discrete element method with homogenous drag models and particle size distribution.
In: Fuel Processing Technology, 169
doi: 10.1016/j.fuproc.2017.09.014
Article

Schilling, Christian ; Ganduglia-Pirovano, Maria Verónica ; Hess, Christian (2018)
Experimental and Theoretical Study on the Nature of Adsorbed Oxygen Species on Shaped Ceria Nanoparticles.
In: The Journal of Physical Chemistry Letters, 9 (22)
doi: 10.1021/acs.jpclett.8b02728
Article

Sternel, Dörte Carla ; Feith, Alexandra
eds.: Richling, Sabine ; Baumann, Martin ; Heuveline, Vincent (2017)
Brainware for Science – the Hessian HPC Competence Center.
bwHPC-Symposium. Heidelberg
doi: 10.11588/heibooks.308.418
Conference or Workshop Item

Simsek Sanli, E. ; Barragan-Yani, D. ; Ramasse, Q. M. ; Albe, Karsten ; Mainz, R. ; Abou-Ras, D. ; Weber, A. ; Kleebe, Hans-Joachim ; Aken, Peter A. van (2017)
Point defect segregation and its role in the detrimental nature of Frank partials in Cu(In, Ga)Se2 thin-film absorbers.
In: Physical Review B, 95 (19)
doi: 10.1103/PhysRevB.95.195209
Article

Stroh, Alexander ; Alobaid, Falah ; Daikeler, Alexander ; Haaf, Martin ; Bohnstein, Maximilian von ; Ströhle, Jochen ; Epple, Bernd (2017)
Numerical CFD simulation of the 1 MWth CFB carbonator using the discrete element method.
12th International Conference on Fluidized Bed Technology. Krakau (23.-26.05.2017)
Conference or Workshop Item

Sicolo, Sabrina ; Fingerle, Mathias ; Hausbrand, René ; Albe, Karsten (2017)
Interfacial instability of amorphous LiPON against lithium: A combined Density Functional Theory and spectroscopic study.
In: Journal of Power Sources, 354
Article

Schilling, Christian ; Hofmann, Alexander ; Hess, Christian ; Ganduglia-Pirovano, M. Veronica (2017)
Raman Spectra of Polycrystalline CeO2: A Density Functional Theory Study.
In: The Journal of Physical Chemistry C, 121 (38)
Article

Sicolo, Sabrina ; Albe, Karsten (2016)
First-principles calculations on structure and properties of amorphous Li5P4O8N3 (LiPON).
In: Journal of Power Sources, 331
Article

Sitt, René ; Feith, Alexandra ; Sternel, Dörte C.
eds.: Knüpfer, Andreas ; Hilbrich, Tobias ; Niethammer, Christoph ; Gracia, José ; Nagel, Wolfgang E. ; Resch, Michael M. (2016)
Parallel Code Analysis in HPC User Support.
Proceedings of the 9th International Workshop on Parallel Tools for High Performance Computing, September 2015. TU Dresden (September 2015)
Conference or Workshop Item

Stange, Simone Katharina (2016)
Numerical Simulation of Compressible Flows with Immersed Boundaries using Discontinuous Galerkin Methods.
TU Darmstadt
Bachelor Thesis

Sternel, Dörte Carla ; Iwainsky, Christian ; Opfer, Thomas ; Feith, Alexandra
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The Hessian Competence Centre for High Performance Computing: "Brainware" for Green IT.
Proceedings of the Fourth International Conference on Parallel, Distributed,Grid and Cloud Computing for Engineering. Kippen, UK
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Tran, Minh Hai ; Malik, Ali Muhammad ; Dürrschnabel, Michael ; Regoutz, Anna ; Thakur, Pardeep ; Lee, Tien-Lin ; Perera, Delwin ; Molina-Luna, Leopoldo ; Albe, Karsten ; Rohrer, Jochen ; Birkel, Christina S. (2020)
Experimental and theoretical investigation of the chemical exfoliation of Cr-based MAX phase particles.
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Investigation of hybrid turbulence modeling techniques in the context of fluid-structure interaction.
TU Darmstadt
Ph.D. Thesis

Thiem, C. ; Schäfer, Michael
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Investigation of hybrid turbulence modeling techniques in the context Fluid-Structure Interaction.
TU Darmstadt
Ph.D. Thesis

Türk, S. ; Spiegelberg, Henning ; Schäfer, Michael ; Tropea, Cameron ; Sternel, Dörte C.
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Numerical investigation of an airfoil with self-adaptive camber.
In: 11th World Congress on Computational Mechanics (WCCM XI), 5th European Congress on computational Mechanics (ECCM V), 6th European Conference on Computational Fluid Dynamics
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Thiem, C. ; Schäfer, Michael
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In: 11th World Congress on Computational Mechanics (WCCM XI), 5th European Congress on computational Mechanics (ECCM V), 6th European Conference on Computational Fluid Dynamics
Book Section

Türk, Sebastian ; Reimann, Thorsten ; Sternel, Dörte C. ; Schäfer, Michael
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On the performance of detached-eddy simulation in fluid-structure interaction problems.
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Utt, Daniel ; Lee, Subin ; Xing, Yaolong ; Jeong, Hyejin ; Stukowski, Alexander ; Oh, Sang Ho ; Dehm, Gerhard ; Albe, Karsten (2022)
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Uglanova, Inna ; Gius, Evelyn (2021)
The Order of Things. A Study on Topic Modelling of Literary Texts.
Computational Humanities Research 2020. Amsterdam, the Netherlands (18-20 November, 2020)
Conference or Workshop Item

Utt, Daniel ; Stukowski, Alexander ; Ghazisaeidi, Maryam (2020)
The effect of solute cloud formation on the second order pyramidal to basal transition of 〈c+a〉 edge dislocations in Mg-Y solid solutions.
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Grain boundary structure and mobility in high-entropy alloys: A comparative molecular dynamics study on a Σ11 symmetrical tilt grain boundary in face-centered cubic CuNiCoFe.
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An extended discontinuous Galerkin framework for multiphase flows.
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Technische Universität Darmstadt
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11th OpenFOAM Workshop, Guimaraes, Portugal.
Conference or Workshop Item

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Zhou, Xiandong ; Reimuth, Christoph ; Xu, Bai-Xiang (2022)
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Zhou, Xiandong ; Liu, Zhen ; Xu, Bai-Xiang (2022)
Influence of dislocations on domain walls in perovskite ferroelectrics: Phase-field simulation and driving force calculation.
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Ziemba, Marc ; Weyel, Jakob ; Hess, Christian (2022)
Elucidating the mechanism of the reverse water–gas shift reaction over Au/CeO2 catalysts using operando and transient spectroscopies.
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Zhou, Xiandong ; Yang, Yangyiwei ; Bharech, Somnath ; Lin, Binbin ; Schröder, Jörg ; Xu, Bai-Xiang (2021)
3D-multilayer simulation of microstructure and mechanical properties of porous materials by selective sintering.
In: GAMM-Mitteilungen, (Early Access)
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Ziemba, Marc ; Schilling, Christian ; Ganduglia-Pirovano, M. Verónica ; Hess, Christian (2021)
Toward an Atomic-Level Understanding of Ceria-Based Catalysts: When Experiment and Theory Go Hand in Hand.
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Ziemba, Marc ; Schumacher, Leon ; Hess, Christian (2021)
Reduction Behavior of Cubic In2O3 Nanoparticles by Combined Multiple In Situ Spectroscopy and DFT.
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Ziemba, Marc ; Ganduglia-Pirovano, Veronica ; Hess, Christian (2021)
Insight into the mechanism of the water-gas shift reaction over Au/CeO2 catalysts using combined operando spectroscopies.
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Ziemba, Marc ; Stark, Danny ; Hess, Christian (2020)
Combined DFT and operando Spectroscopic Study of the Water-Gas Shift Reaction over Ceria based Catalysts: The Role of the Noble Metal and Ceria Faceting.
1st International Electronic Conference on Catalysis Sciences. (10.-30.11.2020)
doi: 10.3390/ECCS2020-07531
Conference or Workshop Item

Zepeda-Ruiz, Luis A. ; Stukowski, Alexander ; Oppelstrup, Tomas ; Bertin, Nicolas ; Barton, Nathan R. ; Freitas, Rodrigo ; Bulatov, Vasily V. (2020)
Atomistic insights into metal hardening.
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Ziemba, Marc ; Ganduglia-Pirovano, M. Verónica ; Hess, Christian (2020)
Elucidating the Oxygen Storage-Release Dynamics in Ceria Nanorods by Combined Multi-Wavelength Raman Spectroscopy and DFT.
In: The Journal of Physical Chemistry Letters, 11
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Ziemba, Marc ; Hess, Christian (2020)
Influence of gold on the reactivity behaviour of ceria nanorods in CO oxidation: Combining operando spectroscopies and DFT calculations.
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Zieglowski, Mareike ; Trosien, Simon ; Rohrer, Jochen ; Mehlhase, Sabrina ; Weber, Simone ; Bartels, Kerstin ; Siegert, Gregor ; Trellenkamp, Taina ; Albe, Karsten ; Biesalski, Markus (2019)
Reactivity of Isocyanate-Functionalized Lignins: A Key Factor for the Preparation of Lignin-Based Polyurethanes.
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Zhao, Ying ; Xu, Bai-Xiang ; Stein, Peter ; Gross, Dietmar (2016)
Phase-field study of electrochemical reactions at exterior and interior interfaces in Li-Ion battery electrode particles.
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Article

Zhao, Ying ; Schillinger, Dominik ; Xu, Bai-Xiang ; Nguyen, Lam H. (2016)
Modeling of lithium-ion battery composite electrodes using finite cell method.
VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016). Crete, Greece (June 5-10, 2016)
Conference or Workshop Item

Ş

Şopu, D. ; Moitzi, F. ; Mousseau, N. ; Eckert, J. (2020)
An atomic-level perspective of shear band formation and interaction in monolithic metallic glasses.
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Š

Šrut, Adam ; Lear, Benjamin J. ; Krewald, Vera (2023)
The Marcus dimension: identifying the nuclear coordinate for electron transfer from ab initio calculations.
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doi: 10.1039/D3SC01402A
Article

Šrut, Adam ; Krewald, Vera (2023)
Vibrational coherences of the photoinduced mixed-valent Creutz–Taube Ion revealed by excited state dynamics.
In: The Journal of Physical Chemistry A
doi: 10.1021/acs.jpca.3c04415
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