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physics.chem-ph2025
Incorporating Coulomb interactions with fixed charges in Moment Tensor Potentials and Equivariant Tensor Network Potentials
Dmitry Korogod, Olga Chalykh, Max Hodapp +3
In this work, we incorporate long-range electrostatic interactions in the form of the Coulomb model with fixed charges into the functional form of short-range machine-learning inte…
physics.chem-ph2025★ 1 cited
Moment Tensor Potential and Equivariant Tensor Network Potential with explicit dispersion interactions
Olga Chalykh, Dmitry Korogod, Ivan S. Novikov +3
In this study, we investigate the effect of incorporating explicit dispersion interactions in the functional form of machine learning interatomic potentials (MLIPs), particularly i…