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Publications
Proceedings
2006 Spring Meeting & 2nd Global Congress on Process Safety
Hydrogen
Hydrogen Storage Scenarios for Transportation Applications
2011 Annual Meeting
Session: Recent Advances In Molecular Simulation Methods I
Chair
Abrams, C. F.
, Drexel University
Co-Chair
Ismail, A. E.
, Sandia National Laboratories
Presentations
08:30 AM
(52a) A Fast Hybrid Molecular Dynamics Method for Estimating Gas Diffusion In Polymeric Glasses
08:50 AM
(52b) Solvent Effect On the Ultrafast Spectra In Water Solution: Explicit and Implicit Solvation
09:10 AM
(52c) Precise Simulation of Freezing Transitions
09:30 AM
(52d) Small Molecule Solvation Free Energy: Enhanced Conformational Sampling Using Expanded Ensemble Molecular Dynamics Simulation
10:00 AM
(52e) Efficient, Precise and Accurate Methods of Calculating Solid-Phase Free Energies by Molecular Simulation
10:20 AM
(52f) Dissipative Particle Dynamics Simulations Involving Chemical Reactions
10:40 AM
(52g) Rigid Body Constraints In Molecular Dynamics Simulations Optimized for Graphics Processing Units