Recent Advances in Molecular Simulation Methods II | AIChE

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Recent Advances in Molecular Simulation Methods II

Co-chair(s)

Martin, M. G., Useful Bias Inc.

We seek theoretical and computational contributions in the development of novel methods for the simulation of atomic and molecular systems. Topics of interest include but are not limited to Monte Carlo, molecular dynamics, Brownian Dynamics, Dissipative Particle Dynamics and quantum mechanical methods, as well as novel concepts and methods in multi-scale modeling in space and/or time.

Presentations

12:30 PM
(669a) Efficient Potential of Mean Force Calculations through Monte Carlo Simulations
12:50 PM
(669b) Rigorous Algorithms for Ensemble Overlap and Model Development Using the Relative Entropy
1:10 PM
(669c) A Fast Heuristic for Predicting Ordered Arrangements of Strongly Interacting Particles
1:30 PM
(669d) Development and Application of a Hybrid Method Involving Interpolation and Ab Initio Calculations for the Determination of Transition States
1:50 PM
(669e) Multicomponent Gauge Cell Monte Carlo Method: Determination of Chemical Potentials in Dense and Inhomogeneous Systems
2:10 PM
(669f) Including Convection In Lattice Kinetic Monte Carlo Simulations
2:30 PM
(669g) New Techniques for Simulating Crystals

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AIChE Pro Members $150.00
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AIChE Explorer Members $225.00
Non-Members $225.00

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