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Anzahl der Einträge: 25.

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

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

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

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

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

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

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

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

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

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

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

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

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

Han, Haoxue ; Schlawitschek, Christiane ; Katyal, Naman ; Stephan, Peter ; Gambaryan-Roisman, Tatiana ; Leroy, Frédéric ; Müller-Plathe, Florian :
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.
[Online-Edition: http://doi.org/10.1021/acs.langmuir.7b01410]
In: Langmuir ISSN 0743-7463
[Artikel] , (2017)

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

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

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

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

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

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

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

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

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

Zhang, Meimei ; Müller-Plathe, Florian :
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 .
[ Konferenzveröffentlichung] , (2006)

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

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