Ivan S. Novikov

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• Accelerating structure prediction of molecular crystals using actively trained moment tensor potential2025
• Incorporating Coulomb interactions with fixed charges in Moment Tensor Potentials and Equivariant Tensor Network Potentials2025
• Path-integral molecular dynamics with actively-trained and universal machine learning force fields2025
• Moment Tensor Potential and Equivariant Tensor Network Potential with explicit dispersion interactions2025
• Interatomic Interaction Models for Magnetic Materials: Recent Advances2024
• A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting BC2N monolayers2021
• Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution2020
• Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials2020 · аннотациясвернуть

  Phononic properties are commonly studied by calculating force constants using the density functional theory (DFT) simulations. Although DFT simulations offer accurate estimations of phonon dispersion relations or…