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Publications
Proceedings
2012 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Recent Advances in Molecular Simulation Methods I
2012 AIChE Annual Meeting
Session: Recent Advances in Molecular Simulation Methods I
Co-Chair
Abrams, C. F.
, Drexel University
Presentations
08:30 AM
(51a) Theoretical Calculating the Thermodynamic Properties of Solid Sorbents for CO2 Capture Applications
08:48 AM
(51b) Nonmonotonic Dependence of the Absolute Entropy On Temperature in Supercooled Stillinger-Weber Silicon
09:06 AM
(51c) Molecular Characterization of the Interactions of Growth Modifiers with Zeolite Surfaces
09:24 AM
(51d) Efficient Monte Carlo Algorithms for Simulation of Crystalline Solids
09:42 AM
(51e) GPU Accelerated Configurational Bias Monte Carlo Simulations of Linear Alkanes
10:00 AM
(51f) Estimating Physicochemical Properties of Amino Acid Side Chain Analogs Using Expanded Ensemble Molecular Simulation Algorithm: An Assessment of Force Fields
10:18 AM
(51g) Generating, Simulating, and Synthesizing Novel Materials for Gas Storage & Separations
