(508h) Advancing Molecular Simulation Methods with Machine Learning
AIChE Annual Meeting
2017
2017 Annual Meeting
Computational Molecular Science and Engineering Forum
Recent Advances in Molecular Simulation Methods II
Wednesday, November 1, 2017 - 10:13am to 10:32am
In this presentation, we will demonstrate how modern data science techniques can be used to advance molecular modeling and simulation methods, how the results of traditional methods can be calibrated, and how we can devise data-derived models that are predictive and that can replace simulations at a fraction of the computational cost.