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Alexander V. Shapeev

Skolkovo Institute of Science and Technology

Novaya St., 100

Skolkovo, 143025

Russia

  • Skolkovo Institute of Science and Technology

SCHOLARLY PAPERS

3

DOWNLOADS

143

TOTAL CITATIONS

0

Scholarly Papers (3)

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1.

Mechanical Properties of Single and Polycrystalline Solids from Machine Learning

Number of pages: 15 Posted: 06 Nov 2023
Faridun Jalolov, Evgeny V. Podryabinkin, Artem R. Oganov, Alexander V. Shapeev and Alexander G. Kvashnin
Skolkovo Institute of Science and Technology, Skolkovo Institute of Science and Technology, Skolkovo Institute of Science and Technology, Skolkovo Institute of Science and Technology and Skolkovo Institute of Science and Technology
Downloads 64 (933,592)

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Diamond polycrystals, Machine learning interatomic potentials

2.

Automated Prediction of Thermodynamic Properties via Bayesian Free-Energy Reconstruction from Molecular Dynamics

Number of pages: 35 Posted: 09 Sep 2025
Ekaterina Spirande, Timofei Miryashkin, Andrei Kolmakov and Alexander V. Shapeev
affiliation not provided to SSRN, Skolkovo Institute of Science and Technology, affiliation not provided to SSRN and Skolkovo Institute of Science and Technology
Downloads 56 (1,010,164)

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free energy, thermodynamic properties, Bayesian learning, nuclear quantum effects, molecular dynamics

3.

Path-Integral Molecular Dynamics with Actively-Trained and Universal Machine Learning Force Fields

Number of pages: 21 Posted: 23 Jun 2025
Alexander Alekseyevich Solovykh, Nikita Evgenievich Rybin, Ivan Sergeyevich Novikov and Alexander V. Shapeev
Lomonosov Moscow State University, Skolkovo Institute of Science and Technology, HSE University and Skolkovo Institute of Science and Technology
Downloads 23 (1,424,331)

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path integrals, nuclear quantum effects, machine learning, interatomic potentials, thermal expansion