Incorporating Coulomb interactions with fixed charges in Moment Tensor Potentials and Equivariant Tensor Network Potentials

Korogod D.; Chalykh O.; Hodapp M.; Rybin N.; Ivan S. Novikov; Shapeev A.

doi:10.1063/5.0295402

Публикации

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Incorporating Coulomb interactions with fixed charges in Moment Tensor Potentials and Equivariant Tensor Network Potentials

Journal of Chemical Physics. 2026. Vol. 164. No. 6. Article 064120.

Korogod D., Chalykh O., Hodapp M., Rybin N., Ivan S. Novikov, Shapeev A.

Научное направление: Физика Химия Компьютерные науки

Язык: английский

DOI

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Ключевые слова: Electrostatics density functional theory magnetic machine-learning interatomic potentials intermolecular forces

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