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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
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Ivan Novikov
Max Hodapp
Evgenii Tsymbalov
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Vadim Sotskov
Past members
Konstantin Gubaev
Vera Islamova
Milad Asgarpour Khansary
Past members
Vera Islamova
Milad Khansary