4 citations · 4 across the 5 of their papers we have counts for
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Can Universal Machine-Learning Interatomic Potentials Capture Small Polarons? A Geometry-Based Benchmark in Transition-Metal Oxides
Vladislav Korostelev, Pjotrs Žguns, Konstantin Klyukin
Small polarons, formed when excess electrons become localized through lattice distortions, play a critical role in charge transport, catalysis, and degradation processes in transit…
Charge-Density-Wave Phase Transitions in Monolayer 1T-TaS2 from Universal Machine Learning Molecular Dynamics
Valentina Nesterova, Tribhuwan Pandey, Tom Berlijn +3
Charge-density-wave (CDW) phases in 1T transition-metal dichalcogenides arise from strong electron-phonon coupling and accompanying lattice instabilities. Capturing their temperatu…
Electronic-Structure Correlations Governing Superconductivity in Nb-Based High-Entropy Alloys
Md Sabbir Hossen Bijoy, Vladislav Korostelev, Deva Prasaad Neelakandan +10
Superconducting high-entropy alloys have recently emerged as a new platform for exploring superconductivity in highly disordered metallic systems and may offer advantages for appli…
Hydrogen in Brownmillerite Perovskites: First-Principles Insights into Energetics and Induced Electronic-Magnetic Changes
Vladislav Korostelev, Pjotrs Žguns, Konstantin Klyukin
Hydrogen uptake in brownmillerite perovskites A2B2O5 offers an (electro)chemically accessible route to tune functional properties, but mechanistic understanding and design rules fo…