no code implementations • 1 Feb 2024 • Joshua A. Vita, Amit Samanta, Fei Zhou, Vincenzo Lordi
Though in this work we focus on the use of LTAU with deep learning atomistic force fields, we emphasize that it can be readily applied to any regression task, or any ensemble-generation technique, to provide a reliable and easy-to-implement UQ metric.
1 code implementation • 31 Jul 2017 • Qiang Zhu, Amit Samanta, Bingxi Li, Robert E. Rudd, Timofey Frolov
The study of grain boundary phase transitions is an emerging field until recently dominated by experiments.
Materials Science