Recent Advances in Molecular Simulation Methods | AIChE

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Recent Advances in Molecular Simulation Methods

Chair(s)

Howard, M., University of Texas At Austin

Co-chair(s)

Zerze, G. H., Princeton University

Presentations

12:30 PM
(103a) Brownian Bridges for Stochastic Chemical Processes – Applications and Approximation Method
12:45 PM
(103b) Supervised Learning and the Finite-Temperature String Method for Computing Committor Functions and Reaction Rates
1:00 PM
Break
1:15 PM
(103d) Systematic Control of Collective Variables Learned from Variational Autoencoders
1:30 PM
(103e) Accelerated Free Energy Calculations By Joint Biasing in Configurational and Alchemical Space in Metadynamics
1:45 PM
(103f) Exploring Low-Energy Regions of Glassy Potential Energy Landscapes
2:00 PM
(103g) Ordinary Least Squares, Extraordinary Overconfidence: Towards Improved Statistical Estimators for Particle Diffusivity
2:15 PM
(103h) How to Quantify Spatial Variations in Diffusivity in Molecular Dynamics Simulations.
2:30 PM
(103i) Leveraging the Wolf Method for Electrostatics to Extend Time and Length Scales Accessible By Monte Carlo Simulations
2:45 PM
(103j) py-MCMD: Hybrid Monte Carlo – Molecular Dynamics Simulations

Topics 

Biological Engineering
Chemical Engineering Practice
Chemicals & Materials

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Individuals

AIChE Pro Members $150.00
AIChE Emeritus Members $105.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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