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Publications
Proceedings
2014 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Recent Advances in Molecular Simulation Methods III
2014 AIChE Annual Meeting
Session: Recent Advances in Molecular Simulation Methods III
session III
Chair
Erik Santiso
, NC State University
Co-Chair
Vanessa Ortiz
, Columbia University
Presentations
03:15 PM
(590a) Multi-Scale Theory in the Molecular Simulation of Electrolyte Solutions
Wei Zhang, Xinli You, Lawrence R. Pratt
03:40 PM
(590b) Incorporation of Proton Hopping Mechanism into Dissipative Particle Dynamics
Ming-Tsung Lee, Aleksey Vishnyakov, Alexander V. Neimark
04:05 PM
(590c) Surface Tension of Pure Components and Mixtures By Molecular Simulation
Stephan Werth, Hans Hasse, Martin Horsch, Katrin Stöbener
04:30 PM
(590d) Consistency in Van Der Waals and Platteuw Theory: Role of Flexibility of Water Lattice
Srikanth Ravipati, Sudeep Punnathanam
04:55 PM
(590e) Coarse-Grained Simulation of dsDNA-Dendrimer Complex Formation
Shi Yu, Ronald Larson
05:20 PM
(590f) From Feedstock to Final Product: Toward Molecular Dynamics Simulations Encompassing All Stages of Single-Walled Carbon Nanotube Synthesis
Jonathan E. Mueller, William A. Goddard
