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20192024
most citedMicron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning

24 citations · 45 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2024★ 1 cited

Phase discovery with active learning: Application to structural phase transitions in equiatomic NiTi

Jonathan Vandermause, Anders Johansson, Yucong Miao +2

Nickel titanium (NiTi) is a protypical shape-memory alloy used in a range of biomedical and engineering devices, but direct molecular dynamics simulations of the martensitic B19' -…