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physics.comp-ph2025★ 2 cited
Learning atomic forces from uncertainty-calibrated adversarial attacks
Henrique Musseli Cezar, Tilmann Bodenstein, Henrik Andersen Sveinsson +3
Adversarial approaches, which intentionally challenge machine learning models by generating difficult examples, are increasingly being adopted to improve machine learning interatom…
physics.comp-ph2023
On the equivalence of the hybrid particle-field and Gaussian core models
Morten Ledum, Samiran Sen, Sigbjørn Løland Bore +1
Hybrid particle-field molecular dynamics is a molecular simulation strategy wherein particles couple to a density field instead of through ordinary pair potentials. Traditionally c…