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Publications
Proceedings
2009 Annual Meeting
Computational Molecular Science and Engineering Forum
Recent Advances in Molecular Simulation Methods II
2009 Annual Meeting
Session: Recent Advances in Molecular Simulation Methods II
Chair
Michael R. Shirts
, University of Virginia
Co-Chair
C. Heath Turner
, University of Alabama
Presentations
03:15 PM
(167a) GROW: a GRadient-Based Optimization Workflow for Model Building Beyond Manual Intervention
Astrid Maaß, Dirk Reith
03:35 PM
(167b) Accurate Kirkwood-Buff Integrals From Molecular Dynamics Simulations
Rasmus Wedberg, Günther Peters
03:55 PM
(167h) High-Throughput Catalysis and Information Management
Michael Doyle
04:15 PM
(167d) Limitations and Recommendations for the Calculation of Shear Viscosity Using Reverse Nonequilibrium Molecular Dynamics
Craig M. Tenney
04:35 PM
(167e) Study of Proton Transport Using Reactive Molecular Dynamics
Myvizhi Esai Selvan, David J. Keffer, Shengting Cui
04:55 PM
(167f) Field-Biased Molecular Simulation Methods for Hard Sphere Polymer Chains
05:15 PM
(167g) Field Theoretic Simulations in the Gibbs Ensemble
Robert A. Riggleman
