Author

P. Levashov

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Preprint Oct 2026

Extraction of different electronic contributions to transport properties of transition metals from first principles

Accurate transport properties calculations in transition metals require treating inter-orbital hybridization, which is often poorly captured by simplified single-band models. We propose an \textit{ab initio} approach combining maximally localized Wannier functions and the Allen's method to correctly account for this mi...

I. S. Galtsov, D. Minakov, P. Levashov · 0 citations

Preprint Oct 2026

Mechanical properties of V-4Ti-4Cr alloy from molecular dynamics with a neural-network potential

Machine-learning interatomic potentials enable large-scale atomistic simulations of vanadium alloys relevant to fusion applications, but reliable training and validation remain challenging in multicomponent systems. Here, we develop a descriptor-based DeepMD-DPA1 potential for the V-Ti-Cr system using a two-stage workf...

G. S. Demyanov, D. Minakov, S. B. Saltykov et al. · 0 citations