Our collaborator, Prof. Geoff Hutchison from the University of Pittsburg recently took part in the Royal Society of Chemistry’s 2020 Twitter Poster Conference, to highlight the great work carried out by one of my DPhil students, Lucian Leung Chan, on the application of Bayesian optimization to conformer generation:
Bayesian Sampling of Molecular Conformers – with @gmm and @chan_lucian
— Geoff Hutchison (@ghutchis@mastodon.social) (@ghutchis) March 3, 2020
aka, how to find low-energy molecular geometries efficiently#RSCPoster #RSCPhys pic.twitter.com/sY8fEG0JoW