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Multiscale Modelling
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Evgeny Podryabinkin
Ivan Novikov
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Machine-Learning Interatomic Potentials
Machine Learning for Computational Materials Discovery
First-principles calculations of alloy phase diagrams using Machine Learning
Prediction of chemical reaction rates using Machine Learning
Modelling cathodes using Machine Learning
Machine Learning for Elastic Strain Engineering
Atomistic-to-Continuum Coupling
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Alexander Shapeev
Evgeny Podryabinkin
Ivan Novikov
Konstantin Gubaev
Evgenii Tsymbalov
Tatiana Kostyuchenko
Edgar Makarov
Past members
Vera Islamova
Milad Asgarpour Khansary
Past members
Vera Islamova
Milad Khansary