Publicationsneu

Complete Publication List

Prof. Dr. Florian Müller-Plathe

Group members without co-authorship of Florian Mülller-Plathe

Recent Publications

2018

“The alignment of dichroic dyes in a nematic liquid crystal: a molecular dynamics investigation”, S.K. Fegan, P. Kirsch, and F. Müller-Plathe, Liq. Cryst. 45, 1377−1384 (2018). [DOI: 10.1080/02678292.2018.1441456]

“Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface”, D. Surblys, F. Leroy, Y. Yamaguchi, and F. Müller-Plathe, J. Chem. Phys. 148, 134707 (2018). [DOI: 10.1063/1.5019185]

“Solid-Liquid and Solid-Solid Phase Diagrams of Self-Assembled Triblock Janus Nanoparticles from Solution”, H. Eslami, K. Bahri, and F. Müller-Plathe, J. Phys. Chem. C 122, 9235–9244 (2018). [DOI: 10.1021/acs.jpcc.8b02043]

“Distribution of the number of polymer chains grafted on nanoparticles fabricated by grafting-to and grafting-from procedures”, H. Liu, H.-Y. Zhao, F. Müller-Plathe, H.-J. Qian, Z.-Y. Sun, and Z.-Y. Lu, Macromolecules 51, 3758–3766 (2018). [DOI: 10.1021/acs.macromol.8b00309]

“Application of Reverse Non-equilibrium Molecular Dynamics to the Calculation of the Mutual Diffusion Coefficient of Alkane Mixtures”, H. K. Chilukoti, F. Müller-Plathe, and H. Yang, J. Phys. Chem. 122, 9210−9217 (2018). [DOI: 10.1021/acs.jpcb.8b06886]

“A coarse-grained molecular simulation model for gecko-feet keratin”, K. Endoh, T. Kawakatsu, and F. Müller-Plathe, J. Phys. Chem. B (on-line). [DOI: 10.1021/acs.jpcb.7b10481]

“Molecular dynamics study on the thermal conductivity of the end-grafted carbon nanotubes filled polyamide-6.6 nanocomposites”, Y. Gao and F. Müller-Plathe, J. Phys. Chem. C 122, 1412−1421 (2018). [DOI: 10.1021/acs.jpcc.7b11310]

“Coarse-grained molecular dynamics simulation of activated penetrant transport in glassy polymers”, K. Zhang, D. Meng, F. Müller-Plathe, and S.K. Kumar, Soft Matter 14, 440–447 (2018). [DOI: 10.1039/C7SM01941F]

2017

“Polymer Chain Collapse Upon Rapid Solvent Exchange – Slip-Spring Dissipative Particle Dynamic Simulation With an Explicit Solvent Model”, J. Schneider, A.Z. Panagiotopoulos, and F. Müller-Plathe, J. Phys. Chem. C 121, 27664−27673 (2017). [DOI: 10.1021/acs.jpcc.7b07135]

“Effect of grafted chains on the heat transfer between carbon nanotubes in a polyamide-6.6 matrix: A molecular dynamics study”, Y. Gao and F. Müller-Plathe, Polymer 129, 228–234 (2017). [DOI: 10.1016/j.polymer.2017.09.066]

“Adaptive-Numerical-Bias Metadynamics“, N. Khanjari, H. Eslami, and F. Müller-Plathe, J. Comput. Chem. 38, 2721–2729 (2017). [DOI: 10.1002/jcc.25066]

“Contact Angles from Young’s Equation in Molecular Dynamics Simulations”, H. Jiang, F. Müller-Plathe, and A.Z. Panagiotopoulos, J. Chem. Phys. 147, 084708 (2017). [DOI: 10.1063/1.4994088]

“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”, H. Han, C. Schlawitschek, N. Katyal, P. Stephan, T. Gambaryan-Roisman, F. Leroy, and F. Müller-Plathe, Langmuir 33, 5336–5343 (2017). [DOI: 10.1021/acs.langmuir.7b01410]

“Thermal transport at solid-liquid interface: From the increase of thermal resistance towards the shift of rapid boiling”, H. Han, S. Mérabia, and F. Müller-Plathe, Nanoscale 9, 8314−8320 (2017). [DOI: 10.1039/C7NR01215B]

“Thermal transport at solid-liquid interfaces: high pressure facilitates heat flow through non-local liquid structuring”, H. Han, S. Mérabia, and F. Müller-Plathe, J. Phys. Chem. Lett. 8, 1946−1951 (2017). [DOI: 10.1021/acs.jpclett.7b00227] Selected by the Editor for JPCL Spotlights: http://pubs.acs.org/doi/pdfplus/10.1021/acs.jpclett.7b01017

“Formation of Coffee-Stain Patterns at the Nanoscale: The Role of Nanoparticle Solubility and Solvent Evaporation Rate”, J. Zhang, J. Milzetti, F. Müller-Plathe, and F. Leroy, J. Chem. Phys. 146, 114503 (2017). [DOI: 10.1063/1.4978284]

“A Local Order Parameter-Based Method for Simulation of Free Energy Barriers in Crystal Nucleation”, H. Eslami, N. Khanjari, and F. Müller-Plathe, J. Chem. Theory Comp. 13, 1307–1316 (2017). [DOI: 10.1021/acs.jctc.6b01034]

“Uniaxial Deformation of Polystyrene-Silica Nanocomposites Studied by Hybrid Molecular Dynam¬ics-Finite Element Simulations”, S. Liu, S. Pfaller, M. Rahimi, G. Possart, P. Steinmann, M.C. Böhm, and F. Müller-Plathe, Comput. Mat. Sci. 129, 1–12 (2017). [DOI: 10.1016/j.commatsci.2016.11.031]

“Parallel tempering Monte Carlo combined with clustering Euclidean metric analysis to study the thermodynamic stability of Lennard-Jones nanoclusters”, H.M. Cezar, G.G. Rondina, and J.L.F. Da Silva, J. Chem. Phys. 146, 064114 (2017). [DOI: 10.1063/1.4975601].

“Communication: Is a coarse-grained model for water sufficient to compute Kapitza conductance on non-polar surfaces?”, V. Ardham and F. Leroy, J. Chem. Phys. 147, 151101 (2017) [DOI: 10.1063/1.5003199]

“Thermodynamics of atomistic and coarse-grained models of water on nonpolar surfaces”, V. Ardham and F. Leroy, J. Chem. Phys. 147, 074702 (2017). [DOI: 10.1063/1.4999337]