Open Access
RSC Advances, volume 13, issue 45, pages 31728-31737
Strategic sampling with stochastic surface walking for machine learning force fields in iron's bcc–hcp phase transitions
Publication type: Journal Article
Publication date: 2023-10-30
PubMed ID:
37908655
General Chemistry
General Chemical Engineering
Abstract
A machine learning force field for predicting the bcc–hcp phase transitions of iron, demonstrates good performance with DFT calculations, offering new insights and approaches for materials science and solid-state physics research.
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