The Journal of chemical physics
Moment tensor potential and equivariant tensor network potential with explicit dispersion interactions.
Olga Chalykh, Dmitry Korogod, Ivan S Novikov, Max Hodapp, Nikita Rybin, Alexander V Shapeev
Published: 202510.1063/5.0276897
Abstract
In this study, we investigate the effect of incorporating explicit dispersion interactions in the functional form of machine learning interatomic potentials (MLIPs), particularly in the moment tensor potential and equivariant tensor network potential…
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