Owen Madin - Future directions in parameterization: Bayesian inference with surrogate modeling
Channel: Open Force Field Initiative
Date: 2020-05-02

This presentation is a part of the Open Force Field Virtual Meeting 2020.

Presenter: Owen Madin (CU Boulder)

Abstract: I’ll discuss our interest in using Bayesian inference to make decisions about non-bonded interactions, and our planned usage of surrogate models to achieve this. I’ll use the 2CLJQ system as a case study.

Video and slides DOI: https://doi.org/10.5281/zenodo.3781305