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iMak AI Lab

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Publications

A collection of key scientific and applied works of the laboratory. In the future, the list can be linked to an external database or Google Scholar.

2025

First-principles data-driven approach for assessment of stability of Tc-C systems

Radion A Zaripov, Roman A Eremin, Innokentiy Humonen, Aliaksei V Krautsou, Vitaly V Kuznetsov, Konstantin E German,

Acta Materialia•November 2025
DOI: https://doi.org/10.1016/j.actamat.2025.121704
Materials ScienceChemistryAI for Science
2025

Discovery of chemically modified higher tungsten boride by means of hybrid GNN/DFT approach

Nikita Matsokin, Roman Eremin, Anastasia Kuznetsova, Innokentiy Humonen, Aliaksei Krautsou, Vladimir Lazarev,

npj Computational Materials•June 2025
Materials ScienceGNNChemistryAI for Sciencenpj Computational Materials
2025

Benchmarking machine learning models for predicting lithium ion migration

Artem Dembitskiy, Innokentiy Humonen, Roman Eremin, Dmitry Aksyonov, Stanislav Fedotov, Semen Budennyy

npj Computational Materials•May 2025
Materials ScienceChemistryAI for ScienceBenchmarknpj Computational Materials