Computational Molecular Science and Engineering Forum | AIChE

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Computational Molecular Science and Engineering Forum

Chair(s)

Schneider, W., University of Notre Dame

Co-chair(s)

Bruce, D., Clemson University

This session is a ghost session set-up to insure that Group 21, Computational Molecular Science and Engineering Forum, appears with its message on the Web.

Presentations

8:30 AM
(226a) Binding Energetics of Sulfur Dioxide and Dimethyl Ether Using Both Ab Initio and Molecular Simulation Methods
8:55 AM
(226b) Computational Design of Materials for Hydrogen Storage
9:20 AM
(226c) Free-Volume Holes in Poly(vinyl acetate) by Molecular Simulation: Comparison with Hole Theory, Pals Measurement and Free-Volume Theory
9:45 AM
(226d) Adsorption of Methanol, Ethanol, and Acetaldehyde on Small Rhodium Clusters
10:10 AM
(226e) DFT Estimation of Surface Energy of Different Surfaces Morphology in Heterogeneous Catalyst
10:35 AM
(226f) Molecular Modeling of the Adsorption Behavior of Normal Alkanes on Silica Surfaces
11:00 AM
(226g) Monte Carlo Simulations for the Adsorption of Precursors Inside Zeoltie Pores during the Synthesis of Metal Nanowires
11:30 AM
(226h) Locating Optimum Orientations of Adsorbed Protein on a Solid Surface Using a Hybrid Genetic Algorithm and Spatial Grid Method
11:50 AM
(226i) Computer Simulation of Single Dendrimer Nanocarrier Loaded with Drug Molecules

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Individuals

AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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