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Alexander V. Shapeev — most-cited papers & profile · AI for Science
← authors
·
overview
Alexander V. Shapeev
7
papers ·
9
citations ·
44
h-index
Skolkovo Institute of Science and Technology · Odesa I. I. Mechnikov National University · Digital Science (United States) · Schmidt Institute of Physics of the Earth
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Most-cited papers
Machine-learning Driven Synthesis of TiZrNbHfTaC5 High-Entropy Carbide
2022 · 6 citations
Moment Tensor Potential and Equivariant Tensor Network Potential with explicit dispersion interactions
2025 · 2 citations
Mechanical properties of single and polycrystalline solids from machine learning
2023 · 1 citations
Incorporating Coulomb interactions with fixed charges in Moment Tensor Potentials and Equivariant Tensor Network Potentials
2025
Automated Calculation of Thermal Rate Coefficients using Ring Polymer Molecular Dynamics and Machine-Learning Interatomic Potentials with Active Learning
2018
Improving accuracy of interatomic potentials: more physics or more data? A case study of silica
2018
Towards reliable calculations of thermal rate constants: ring polymer molecular dynamics for the OH + HBr $\to$ Br + H$_2$O reaction
2022
Top co-authors
Ivan S. Novikov
· 3
Dmitry Korogod
· 2
Ivan S. Novikov
· 2
Max Hodapp
· 2
Nikita Rybin
· 2
Olga Chalykh
· 2
Yury V. Suleimanov
· 2
Alexander G. Kvashnin
· 1
Alexander Ya. Pak
· 1
and Alexander G. Kvashnin
· 1
Arina A. Gumovskaya
· 1
Artem R. Oganov
· 1
Topics
Chemistry
Materials
Physics ML