1 code implementation • 14 Jan 2021 • Adam Spannaus, Kody J. H. Law, Piotr Luszczek, Farzana Nasrin, Cassie Putman Micucci, Peter K. Liaw, Louis J. Santodonato, David J. Keffer, Vasileios Maroulas
Significant progress in many classes of materials could be made with the availability of experimentally-derived large datasets composed of atomic identities and three-dimensional coordinates.
no code implementations • 5 Dec 2020 • Baldur Steingrimsson, Xuesong Fan, Anand Kulkarni, Michael C. Gao, Peter K. Liaw
We factor such dependencies into the models as a priori information.