Articles with "interatomic model" as a keyword



ChIMES Carbon 2.0: A transferable machine-learned interatomic model harnessing multifidelity training data

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Published in 2025 at "npj Computational Materials"

DOI: 10.1038/s41524-024-01497-y

Abstract: We present new parameterizations of the ChIMES physics informed machine-learned interatomic model for simulating carbon under conditions ranging from 300 K and 0 GPa to 10,000 K and 100 GPa, along with a new multi-fidelity… read more here.

Keywords: learned interatomic; chimes carbon; interatomic model; model ... See more keywords