Recent Advances in Molecular Simulation Methods II | AIChE

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Recent Advances in Molecular Simulation Methods II

Co-chair(s)

Ismail, A. E., Sandia National Laboratories

Contributions describing recent advances in the application of molecular simulation methods to any area of application. Contributions focusing on transport properties are particularly appropriate for this session.

Presentations

12:30 PM
(112a) Monte Carlo On Gpus; A Proof of Detailed Balance
12:50 PM
(112b) Evaluating the Grand-Canonical Partition Function of Atomic and Molecular Fluids Using Expanded Wang-Landau Simulations
1:10 PM
(112c) A Faster Simulation Method for Diffusion in Confinement
1:30 PM
(112d) Development and Application of a Heuristic to Study Heterogeneous Nucleation Mechanisms
1:50 PM
(112e) Computation of Entropic Effects in Crystal Structures
2:10 PM
(112f) Molecular Density Functional Theory and Its Application to Hydration Free-Energy Calculations
2:30 PM
(112g) Multiscale Simulations of Curvature Inducing Protein Partitioning in the Presence of Mean and Gaussian Curvature Gradients

Topics 

Thermodynamics

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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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