2 papers
cond-mat.mtrl-sci2025
Accelerating Moment Tensor Potentials through Post-Training Pruning
Zijian Meng, Karim Zongo, Matthew Thoms +2
Moment Tensor Potentials (MTPs) are machine-learning interatomic potentials whose basis functions are typically selected using a level-based scheme that is data-agnostic. We introd…
cond-mat.mtrl-sci2025
Benchmarking 34 OpenKIM Nickel Potentials with an Emphasis on Surfaces and Extended Defects
Matthew Thoms, Hao Sun, Laurent Karim Béland
We present an automated benchmarking suite for face-centered-cubic (FCC) nickel that evaluates 47 quantitative metrics spanning both standard tests (equation of state, elastic cons…