Ivan S. Novikov

Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution

Bohayra Mortazavi, Evgeny V. Podryabinkin, Ivan S. Novikov et al. · Computer Physics Communications · 2020 · 203 citations · Full text

Engineering, Physics, Mtp/shengbte Solution +15

Efficient machine-learning based interatomic potentialsfor exploring thermal conductivity in two-dimensional materials

Bohayra Mortazavi, Evgeny V. Podryabinkin, Ivan S. Novikov et al. · Journal of Physics Materials · 2020 · 76 citations · Full text

Engineering, Computational Chemistry, Chemistry +21

A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting BC2N monolayers

Bohayra Mortazavi, Ivan S. Novikov, Alexander V. Shapeev · Carbon · 2021 · 65 citations

Materials Science, Engineering, Mechanical Engineering +9

Improving accuracy of interatomic potentials: more physics or more data? A case study of silica

Ivan S. Novikov, Alexander V. Shapeev · Materials Today Communications · 2018 · 47 citations

Solid-state Ionic, Engineering, Physics +12

Automated calculation of thermal rate coefficients using ring polymer molecular dynamics and machine-learning interatomic potentials with active learning

Ivan S. Novikov, Yury V. Suleimanov, Alexander V. Shapeev · Physical Chemistry Chemical Physics · 2018 · 45 citations · Full text

Engineering, Material Simulation, Computational Chemistry +21