Recent Advances in Molecular Simulation Methods I | AIChE

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Recent Advances in Molecular Simulation Methods I

Chair(s)

Ortiz, V., Columbia University

Co-chair(s)

Hung, F. R., Louisiana State University
Chempath, S., University of California - Berkeley
Santiso, E. E., Imperial College London
Shirts, M. R., University of Virginia
Riggleman, R., University of Pennsylvania

Contributions describing recent advances in the application of molecular simulation methods to any area of application.

Presentations

8:30 AM
(272a) On the Location of Phase Boundaries in Alloys Using Multi-Phase and Multi-Cell Simulations
8:48 AM
(272b) Successive Global and Local Optimization Techniques Utilized to Generate New Accurate VLE Force Fields
9:06 AM
(272c) Recent Developments of Highly-Scalable Coarse-Grain Modeling Tools Formulated Upon Dissipative Particle Dynamics
9:24 AM
(272d) A Recent Advance in Modeling Dynamic Properties With Coarse-Grained Molecular Simulation
9:42 AM
(272e) A Systematic Coarse-Graining of Molecular Dynamics Simulations: Thermodynamic and Transport Properties
10:00 AM
(272f) Coarse-Grained Lattice Monte Carlo Simulations With Continuous Interaction Potentials
10:18 AM
(272g) Multicanonical Simulations Based On Contact Maps for Square-Well Heteropolymers Using Event Driven Molecular Dynamics
10:36 AM
(272h) Accelerating Screening of Simulation Parameter Spaces By Orders of Magnitude Using Reweighting and Configuration Space Mapping Algorithms

Topics 

Thermodynamics

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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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