SCTMS staff participated in the 2nd All-Russian Conference "Molecular Dynamics" in Pushkin, St. Petersburg, which was held from June 28 to July 5, 2026. They presented one oral presentation and three posters.The scientific event was supported by the International Laboratory for Supercomputer Atomic Modeling and Multiscale Analysis at the National Research University Higher School of Economics and was held at the HSE Kochubey Center.
Dr. Artem Kabanov presented an oral presentation in the Materials Science section, "Analysis of Sodium/Lithium Ion Diffusion in Solid Electrolytes Using Ab Initio Molecular Dynamics Methods," in which he presented the latest results on the study of ion transport within crystalline materials for next-generation batteries. These studies were supported by Russian Science Foundation grant 25-73-20115.
Poster presentations by SCTMS staff were presented in the "Materials and ML Potentials" section. Artem Bokarev presented a poster entitled "Modeling Interfacial Diffusion by Fine-Tuning Methods in Cathode-Electrolyte Interfaces" featuring the results of his research on optimizing molecular dynamics simulations. Ekaterina Davydova demonstrated an algorithm for generating amorphous crystalline structures using shear-relaxation cycles in molecular dynamics simulations and its application to water ice studies. Vladislav Osipov, in his poster entitled "Comparative Analysis of Universal MLIPs for Modeling Diffusion in Ionic Conductors," reviewed machine-learned interatomic potentials and evaluated them based on their accuracy and computational speed for modeling diffusion in solid-state electrolytes.