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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
Max Hodapp
Evgenii Tsymbalov
Tatiana Kostyuchenko
Edgar Makarov
Vadim Sotskov
Past members
Konstantin Gubaev
Vera Islamova
Milad Asgarpour Khansary
Past members
Vera Islamova
Milad Khansary