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Ivan S Novikov

Showing results (1-10 of 6) with videos related to

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Physical Chemistry Chemical Physics : PCCP|February 20, 2025
Accelerating structure prediction of molecular crystals using actively trained moment tensor potentialNikita Rybin, Ivan S Novikov, Alexander Shapeev
The Journal of Chemical Physics|December 16, 2019
Ring polymer molecular dynamics and active learning of moment tensor potential for gas-phase barrierless reactions: Application to S + H<sub>2</sub>Ivan S Novikov, Alexander V Shapeev, Yury V Suleimanov
The Journal of Chemical Physics|December 30, 2025
Low-rank matrix and tensor approximations for compression of machine-learning interatomic potentialsIgor Vorotnikov, Fedor Romashov, Nikita Rybin, et al.
The Journal of Chemical Physics|February 12, 2026
Incorporating Coulomb interactions with fixed charges in moment tensor potentials and equivariant tensor network potentialsDmitry Korogod, Olga Chalykh, Max Hodapp, et al.
The Journal of Chemical Physics|October 2, 2025
Moment tensor potential and equivariant tensor network potential with explicit dispersion interactionsOlga Chalykh, Dmitry Korogod, Ivan S Novikov, et al.
Scientific Reports|November 13, 2023
Constrained DFT-based magnetic machine-learning potentials for magnetic alloys: a case study of Fe-AlAlexey S Kotykhov, Konstantin Gubaev, Max Hodapp, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|February 20, 2025
Accelerating structure prediction of molecular crystals using actively trained moment tensor potentialNikita Rybin, Ivan S Novikov, Alexander Shapeev
The Journal of Chemical Physics|December 16, 2019
Ring polymer molecular dynamics and active learning of moment tensor potential for gas-phase barrierless reactions: Application to S + H<sub>2</sub>Ivan S Novikov, Alexander V Shapeev, Yury V Suleimanov
The Journal of Chemical Physics|December 30, 2025
Low-rank matrix and tensor approximations for compression of machine-learning interatomic potentialsIgor Vorotnikov, Fedor Romashov, Nikita Rybin, et al.
The Journal of Chemical Physics|February 12, 2026
Incorporating Coulomb interactions with fixed charges in moment tensor potentials and equivariant tensor network potentialsDmitry Korogod, Olga Chalykh, Max Hodapp, et al.
The Journal of Chemical Physics|October 2, 2025
Moment tensor potential and equivariant tensor network potential with explicit dispersion interactionsOlga Chalykh, Dmitry Korogod, Ivan S Novikov, et al.
Scientific Reports|November 13, 2023
Constrained DFT-based magnetic machine-learning potentials for magnetic alloys: a case study of Fe-AlAlexey S Kotykhov, Konstantin Gubaev, Max Hodapp, et al.
Pageof 1