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Number of items: 29.

Yang, Yong-Biao and Hao, Qiang and Müller-Plathe, Florian and Böhm, Michael C. (2020):
Monte Carlo Simulations of SO2, H2S, and CO2 Adsorption in Charged Single-Walled Carbon Nanotube Arrays.
In: The Journal of Physical Chemistry C, (10), 124. American Chemical Society, pp. 5838-5852, ISSN 1932-7447,
DOI: 10.1021/acs.jpcc.9b10424,
[Online-Edition: https://doi.org/10.1021/acs.jpcc.9b10424],
[Article]

Schneider, Jurek and Süss, Leonard D. and Müller-Plathe, Florian (2020):
The Influence of Entanglements on the Dynamics of Flash Nanoprecipitation: A Slip-Spring Dissipative-Particle-Dynamics Investigation.
In: Journal of Chemical & Engineering Data, (3), 65. American Chemical Society, pp. 1264-1272, ISSN 0021-9568,
DOI: 10.1021/acs.jced.9b00679,
[Online-Edition: https://doi.org/10.1021/acs.jced.9b00679],
[Article]

Rondina, Gustavo G. and Böhm, Michael C. and Müller-Plathe, Florian (2020):
Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences.
In: Journal of Chemical Theory and Computation, (3), 16. pp. 1431-1447, ISSN 1549-9618,
DOI: 10.1021/acs.jctc.9b01088,
[Online-Edition: https://doi.org/10.1021/acs.jctc.9b01088],
[Article]

Munaò, Gianmarco and De Nicola, Antonio and Müller-Plathe, Florian and Kawakatsu, Toshihiro and Kalogirou, Andreas and Milano, Giuseppe (2019):
Influence of Polymer Bidispersity on the Effective Particle–Particle Interactions in Polymer Nanocomposites.
In: Macromolecules, 52 (22), 2019. American Chemical Society, pp. 8826-8839, ISSN 0024-9297,
DOI: 10.1021/acs.macromol.9b01367,
[Online-Edition: https://doi.org/10.1021/acs.macromol.9b01367],
[Article]

Chilukoti, Hari Krishna and Müller-Plathe, Florian and Yang, Hua (2018):
Application of Reverse Nonequilibrium Molecular Dynamics to the Calculation of the Mutual Diffusion Coefficient of Alkane Mixtures.
In: The Journal of Physical Chemistry B, 122 (39), pp. 9210-9217, ISSN 1520-6106,
DOI: 10.1021/acs.jpcb.8b06886,
[Online-Edition: https://doi.org/10.1021/acs.jpcb.8b06886],
[Article]

Endoh, Kenkoh S. and Kawakatsu, Toshihiro and Müller-Plathe, Florian (2018):
Coarse-Grained Molecular Simulation Model for Gecko Feet Keratin.
In: The Journal of Physical Chemistry B, 122 (8), pp. 2203-2212, ISSN 1520-6106,
DOI: 10.1021/acs.jpcb.7b10481,
[Online-Edition: https://doi.org/10.1021/acs.jpcb.7b10481],
[Article]

Zhang, Kai and Meng, Dong and Müller-Plathe, Florian and Kumar, Sanat K. (2018):
Coarse-grained molecular dynamics simulation of activated penetrant transport in glassy polymers.
In: Soft Matter, 14 (3), pp. 440-447, ISSN 1744-683X,
DOI: 10.1039/c7sm01941f,
[Online-Edition: https://doi.org/10.1039/c7sm01941f],
[Article]

Liu, Hong and Zhao, Huan-Yu and Müller-Plathe, Florian and Qian, Hu-Jun and Sun, Zhao-Yan and Lu, Zhong-Yuan (2018):
Distribution of the Number of Polymer Chains Grafted on Nanoparticles Fabricated by Grafting-to and Grafting-from Procedures.
In: Macromolecules, 51 (10), pp. 3758-3766, ISSN 0024-9297,
DOI: 10.1021/acs.macromol.8b00309,
[Online-Edition: https://doi.org/10.1021/acs.macromol.8b00309],
[Article]

Eslami, Hossein and Sedaghat, Parvin and Müller-Plathe, Florian (2018):
Local bond order parameters for accurate determination of crystal structures in two and three dimensions.
In: Physical Chemistry Chemical Physics, 20 (42), pp. 27059-27068, ISSN 1463-9076,
DOI: 10.1039/c8cp05248d,
[Online-Edition: https://doi.org/10.1039/c8cp05248d],
[Article]

Gao, Yangyang and Müller-Plathe, Florian (2018):
Molecular Dynamics Study on the Thermal Conductivity of the End-grafted Carbon Nanotubes Filled Polyamide-6.6 Nanocomposites.
In: The Journal of Physical Chemistry C, 122 (2), pp. 1412-1421, ISSN 1932-7447,
DOI: 10.1021/acs.jpcc.7b11310,
[Online-Edition: https://doi.org/10.1021/acs.jpcc.7b11310],
[Article]

Surblys, Donatas and Leroy, Frédéric and Yamaguchi, Yasutaka and Müller-Plathe, Florian (2018):
Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface.
In: The Journal of Chemical Physics, 148 (13), p. 134707, ISSN 0021-9606,
DOI: 10.1063/1.5019185,
[Online-Edition: https://doi.org/10.1063/1.5019185],
[Article]

Eslami, Hossein and Bahri, Kheiri and Müller-Plathe, Florian (2018):
Solid–Liquid and Solid–Solid Phase Diagrams of Self-Assembled Triblock Janus Nanoparticles from Solution.
In: The Journal of Physical Chemistry C, 122 (16), pp. 9235-9244, ISSN 1932-7447,
DOI: 10.1021/acs.jpcc.8b02043,
[Online-Edition: https://doi.org/10.1021/acs.jpcc.8b02043],
[Article]

Fegan, Sarah K. and Kirsch, Peer and Müller-Plathe, Florian (2018):
The alignment of dichroic dyes in a nematic liquid crystal: a molecular dynamics investigation.
In: Liquid Crystals, 45 (9), pp. 1377-1384, ISSN 0267-8292,
DOI: 10.1080/02678292.2018.1441456,
[Online-Edition: https://doi.org/10.1080/02678292.2018.1441456],
[Article]

Khanjari, Neda and Eslami, Hossein and Müller-Plathe, Florian (2017):
Adaptive-numerical-bias metadynamics.
In: Journal of Computational Chemistry, 38 (31), pp. 2721-2729, ISSN 01928651,
DOI: 10.1002/jcc.25066,
[Online-Edition: https://doi.org/10.1002/jcc.25066],
[Article]

Jiang, Hao and Müller-Plathe, Florian and Panagiotopoulos, Athanassios Z. (2017):
Contact angles from Young’s equation in molecular dynamics simulations.
In: The Journal of Chemical Physics, 147 (8), pp. 084708, ISSN 0021-9606,
DOI: 10.1063/1.4994088,
[Online-Edition: https://doi.org/10.1063/1.4994088],
[Article]

Gao, Yangyang and Müller-Plathe, Florian (2017):
Effect of grafted chains on the heat transfer between carbon nanotubes in a polyamide-6.6 matrix: A molecular dynamics study.
In: Polymer, 129pp. 228-234, ISSN 00323861,
DOI: 10.1016/j.polymer.2017.09.066,
[Online-Edition: https://doi.org/10.1016/j.polymer.2017.09.066],
[Article]

Schneider, Jurek and Panagiotopoulos, Athanassios Z. and Müller-Plathe, Florian (2017):
Polymer Chain Collapse upon Rapid Solvent Exchange: Slip-Spring Dissipative Particle Dynamics Simulations with an Explicit-Solvent Model.
In: The Journal of Physical Chemistry C, 121 (49), pp. 27664-27673, ISSN 1932-7447,
DOI: 10.1021/acs.jpcc.7b07135,
[Online-Edition: https://doi.org/10.1021/acs.jpcc.7b07135],
[Article]

Han, Haoxue and Schlawitschek, Christiane and Katyal, Naman and Stephan, Peter and Gambaryan-Roisman, Tatiana and Leroy, Frédéric and Müller-Plathe, Florian (2017):
Solid–Liquid Interface Thermal Resistance Affects the Evaporation Rate of Droplets from a Surface: A Study of Perfluorohexane on Chromium Using Molecular Dynamics and Continuum Theory.
In: Langmuir, 33 (21), pp. 5336-5343, ISSN 0743-7463,
[Online-Edition: http://doi.org/10.1021/acs.langmuir.7b01410],
[Article]

Han, Haoxue and Mérabia, Samy and Müller-Plathe, Florian (2017):
Thermal Transport at Solid–Liquid Interfaces: High Pressure Facilitates Heat Flow through Nonlocal Liquid Structuring.
In: The Journal of Physical Chemistry Letters, 8 (9), pp. 1946-1951, ISSN 1948-7185,
[Online-Edition: http://doi.org/10.1021/acs.jpclett.7b00227],
[Article]

Han, Haoxue and Merabia, Samy and Müller-Plathe, Florian (2017):
Thermal transport at a solid–nanofluid interface: from increase of thermal resistance towards a shift of rapid boiling.
In: Nanoscale, 9 (24), pp. 8314-8320, ISSN 2040-3364,
[Online-Edition: https://doi.org/10.1039/c7nr01215b],
[Article]

Liu, Shengyuan and Böhm, Michael C. and Müller-Plathe, Florian (2016):
Role of the interfacial area for structure and dynamics in polymer nanocomposites: molecular dynamics simulations of polystyrene with silica nanoparticles of different shapes.
In: Materials Research Express, 3 (10), ISSN 2053-1591,
[Online-Edition: http://dx.doi.org/10.1088/2053-1591/3/10/105301],
[Article]

Langeloth, Michael and Sugii, Taisuke and Böhm, Michael C. and Müller-Plathe, Florian (2015):
The glass transition in cured epoxy thermosets: A comparative molecular dynamics study in coarse-grained and atomistic resolution.
In: The Journal of chemical physics, 143 (24), p. 243158, ISSN 0021-9606,
[Online-Edition: http://dx.doi.org/10.1063/1.4937627],
[Article]

Karimi-Varzaneh, Hossein Ali and van der Vegt, Nico F. A. and Müller-Plathe, Florian and Carbone, Paola (2012):
How Good Are Coarse-Grained Polymer Models? A Comparison for Atactic Polystyrene.
In: ChemPhysChem, 13 (15), pp. 3428-3439, ISSN 14394235,
[Online-Edition: http://dx.doi.org/10.1002/cphc.201200111],
[Article]

Müller, Thomas J. and Müller-Plathe, Florian (2010):
Heat transport through a biological membrane-An asymmetric property? Technical issues of nonequilibrium molecular dynamics methods.
In: International Journal of Quantum Chemistry, 111 (7-8), p. 1403, ISSN 00207608,
[Online-Edition: http://dx.doi.org/10.1002/qua.22785],
[Article]

Leroy, Frédéric and dos Santos, Daniel J. V. A. and Müller-Plathe, Florian (2009):
Interfacial Excess Free Energies of Solid-Liquid Interfaces by Molecular Dynamics Simulation and Thermodynamic Integration.
In: Macromolecular Rapid Communications, 30 (9-10), p. 864, ISSN 10221336,
[Online-Edition: http://dx.doi.org/10.1002/marc.200800746],
[Article]

Gaube, Johann and David, Walter and Sanchayan, Ragunathan and Roy, Sudip and Müller-Plathe, Florian (2008):
Selective hydrogenation of 1,5,9-cyclo-dodecatriene towards cyclo-dodecene.
In: Applied Catalysis A: General, (1-2), 343. pp. 87-94, ISSN 0926860X,
[Online-Edition: http://dx.doi.org/10.1016/j.apcata.2008.03.025],
[Article]

Zhang, M. and Müller-Plathe, Florian (2006):
The Soret effect in dilute polymer solutions : influence of chain length, chain stiffness and solvent quality.
In: Journal of Chemical Physics, 125. [Article]

Zhang, Meimei and Müller-Plathe, Florian (2006):
Thermal diffusion studies in realistic molecular liquids and model polymer solutions via reverse nonequilibrium molecular dynamics.
In: Proceedings of the 7th International Meeting on Thermodiffusion (IMT7) <7. 2006, Donastia-San Sebastian,Spain>, 29th May-2nd June 2006, paper accept. 39, [Conference or Workshop Item]

Müller-Plathe, Florian (2005):
Parteien zur Wissenschaft.
In: Nachrichten aus der Chemie, 53. pp. 880-881, [Article]

This list was generated on Tue Oct 20 00:48:02 2020 CEST.