Shapeev, Alexander

1. MLIP-3: Active learning on atomic environments with Moment Tensor Potentials
   2023/04/25 by Evgeny V. Podryabinkin, Kamil Garifullin, Podryabinkin, Evgeny +5 · 16 citations
   Materials Science · #Atomic Physics (physics.atom-ph) #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
2. Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe
   2020/12/23 by Ivan S. Novikov, Blazej Grabowski, Novikov, Ivan +5 · 9 citations
   Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Magnetic properties of thin films #Magnetic Properties and Applications
3. Thermophysical Properties of Molten FLiNaK: a Moment Tensor Potential Approach
   2024/02/28 by Nikita, Rybin, Maksimov, Dmitrii, Zaikov, Yuriy +1 · 5 citations
   #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
4. A moment tensor potential for lattice thermal conductivity calculations of alpha and beta phases of Ga2O3
   2024/02/29 by Rybin, Nikita, Shapeev, Alexander · 2 citations
   #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
5. Accelerating Structure Prediction of Molecular Crystals using Actively Trained Moment Tensor Potential
   2024/10/04 by Rybin, Nikita, Novikov, Ivan S., Shapeev, Alexander · 4 citations
   #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Soft Condensed Matter (cond-mat.soft)
6. Bayesian inference of composition-dependent phase diagrams
   2023/09/03 by Timofei Miryashkin, Miryashkin, Timofei, Olga Klimanova +6 · 3 citations
   Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Advanced Chemical Physics Studies