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…
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…
Anomalous spin-lattice coupling in a 2D antiferromagnetic semiconductor revealed by surface acoustic Rayleigh waves
Zahra Ebrahim Nataj, Md. Sabbir Hossen Bijoy, Vladislav Korostelev +5
Magnetic order in van der Waals magnets can strongly influence their lattice dynamics, yet how this interaction manifests across different phonon length scales remains unclear. Opt…