activity
20102023
most citedAb initio molecular dynamics simulations of negative thermal expansion in ScF3: the effect of the supercell size

32 citations · 38 across the 5 of their papers we have counts for

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Showing 2021Show all

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cond-mat.mtrl-sci2021

Validation of moment tensor potentials for fcc and bcc metals using EXAFS spectra

Alexander V. Shapeev, Dmitry Bocharov, Alexei Kuzmin

Machine-learning potentials for materials, namely the moment tensor potentials (MTPs), were validated using experimental EXAFS spectra for the first time. The MTPs for four metals…