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