WebFeb 22, 2002 · The reverse nonequilibrium molecular dynamics [F. Muller-Plathe, Phys. Rev. E 49, 359 (1999)] presented for the calculation of the shear viscosity of Lennard-Jones liquids has been extended to atomistic models of molecular liquids. The method is improved to overcome the problems due to the detailed molecular models. The new technique is … WebFlorian Müller-Plathe (born 1960 in Hamburg) is a German theoretical chemist and professor for theoretical physical chemistry at Technische Universität Darmstadt. Academic career Müller-Plathe studied chemistry at the Ludwig Maximilian University of Munich , Germany and obtained his PhD at the Max Planck Institute for Astrophysics in ...
Publications – Multiscale Modeling of Soft Materials - UC Davis
WebMay 25, 2007 · Takamichi Terao 1,*, Enrico Lussetti 2, and Florian Müller-Plathe 2. 1 Department of Mathematical and Design Engineering, Gifu University, Gifu 501-1193, Japan; 2 Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt, Petersenstrasse 20, 64287 Darmstadt, Germany * Corresponding … WebJan 1, 1997 · If, on the other 84 Florian Muller-Plathe hand, a molecule extends over the QM/MM boundary, parts of it are described quantum-chemically and parts by the force field, and there are chemical bonds crossing the boundary. On the QM side, the dangling bonds are saturated by hydrogen atoms. The interaction across the boundary is then described … bits in wipro
Molecular dynamics approach to locally resolve elastic ... - PubMed
WebApr 7, 2024 · Florian Müller-Plathe is Professor of Theoretical Physical Chemistry at Technische Universität Darmstadt, Germany. He has worked on the molecular simulation … WebCCPS Center for Chemical Process Safety ; RAPID RAPID Manufacturing Institute ; DIPPR Design Institute for Physical Properties ; SBE Society for Biological … WebFlorian Muller-Plathe- Practical Quantum Chemistry - Free download as PDF File (.pdf), Text File (.txt) or read online for free. Scribd is the world's largest social reading and publishing site. Florian Muller-Plathe - Practical Quantum Chemistry data protection software solutions