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cond-mat.mtrl-sci2026
Inverse design of bespoke interatomic potentials via active learning by information-matching
Yonatan Kurniawan, Logan D. Williams, Amit Samanta +6
Interatomic potentials (IPs) enable large-scale atomistic simulations beyond the reach of first-principles methods, but their predictive reliability depends critically on the selec…
cond-mat.mtrl-sci2025
Towards MatCore: A Unified Metadata Standard for Materials Science
Jane Greenberg, Pamela Boveda-Aguirre, John Allison +18
The materials science community seeks to support the FAIR principles for computational simulation research. The MatCore Project was recently launched to address this need, with the…