This repository contains the data used for obtaining the results presented in the publication titled: “Training data selection for accuracy and transferability of interatomic potentials” available at https://www.nature.com/articles/s41524-022-00872-x
Authors: David Montes de Oca Zapiain1, Mitchell A. Wood1, Nicholas Lubbers1, Carlos Z. Pereyra1, Aidan P. Thompson1 & Danny Perez1
- Sandia National Laboratories, Albuquerque, NM 87185, USA
- University of California Davis, Davis, CA, 95616, USA
- Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy National Nuclear Security Administration under contract DE-NA0003525. The views expressed in the article do not necessarily represent the views of the U.S. Department of Energy or the United States Government. SAND No: SAND2022-16629 O