Alexander V. Shapeev

Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

Alexander V. Shapeev · Multiscale Modeling and Simulation · 2016 · 1.4K citations · Full text

Engineering, Material Simulation, Computational Chemistry +16

Performance and Cost Assessment of Machine Learning Interatomic Potentials

Yunxing Zuo, Chi Chen, Xiangguo Li et al. · The Journal of Physical Chemistry A · 2020 · 891 citations · Full text

Active learning of linearly parametrized interatomic potentials

Evgeny V. Podryabinkin, Alexander V. Shapeev · Computational Materials Science · 2017 · 652 citations · Full text

Engineering, Machine Learning, Computational Learning Theory +5

Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles

Bohayra Mortazavi, Brahmanandam Javvaji, Fazel Shojaei et al. · Nano Energy · 2020 · 580 citations · Full text

Materials Science, Transition Metal Chalcogenides, High Thermal Conductivity +9

Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning

Evgeny V. Podryabinkin, Alexander V. Shapeev, Artem R. Oganov · Physical review. B./Physical review. B · 2019 · 373 citations · Full text