Recent Advances in Molecular Simulation III: Free Energy and Phase Equilibrium | AIChE

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Recent Advances in Molecular Simulation III: Free Energy and Phase Equilibrium

Chair(s)

Hung, F., Northeastern University

Co-chair(s)

Santiso, E., NC State University

TBD

Presentations

8:00 AM
(685a) Enhanced Sampling Methods for Modulating Density Fields
8:19 AM
(685b) Mapped Averaging Methods for Accurate and Precise Evaluation of Free Energies and Other Properties By Molecular Simulation
8:38 AM
(685c) Predicting the Free Energy Landscape of Multicomponent Fluids
8:57 AM
(685d) A Novel Molecular Simulation Method for Liquid-Liquid Equilibria Predictions and in silico Screening of Desalination Solvents
9:16 AM
(685e) Ssages: A Comprehensive Platform for Enhanced Sampling Simulations
9:35 AM
(685f) Multiscale Modeling of Multicompartment Micelle Nanoreactors
9:54 AM
(685g) Reaction Ensemble Monte Carlo: Applications to Ionic Liquids
10:13 AM
(685h) Temperature-Dependent Physicochemical Properties of Nitrotoluenes from Solvation Free Energies

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AIChE Explorer Members $225.00
Non-Members $225.00

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