Simon Boothroyd - Which physical properties should we be optimizing against?
Channel: Open Force Field Initiative
Date: 2020-04-30

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

Presenter: Simon Boothroyd (CU Boulder)

Abstract: An update on refitting the non-bonded (LJ) parameters of the OpenFF force fields against physical property data. A focus is given to exploring which types of physical properties yield the largest improvement in force field performance.

Slides and video DOI: https://doi.org/10.5281/zenodo.3777272