no code implementations • 1 Feb 2024 • Joshua A. Vita, Amit Samanta, Fei Zhou, Vincenzo Lordi
Model ensembles are effective tools for estimating prediction uncertainty in deep learning atomistic force fields.
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