23 citations · 57 across the 8 of their papers we have counts for
9 papers
Mechanical properties of V-4Ti-4Cr alloy from molecular dynamics with a neural-network potential
G. S. Demyanov, D. V. Minakov, S. B. Saltykov +2
Machine-learning interatomic potentials enable large-scale atomistic simulations of vanadium alloys relevant to fusion applications, but reliable training and validation remain cha…
A wide-range temperature-dependent deep potential for sodium with near-experimental accuracy from melting to the critical point
G. S. Demyanov, D. V. Minakov, V. B. Fokin +1
We construct temperature-dependent deep potentials for sodium using finite-temperature DFT data obtained with the PBE, AM05, and SCAN exchange-correlation functionals and inve…
One--Component Plasma Equation of State Revisited via Angular--Averaged Ewald Potential
G. S. Demyanov, P. R. Levashov
We present analytic fits of classical one--component plasma (OCP) internal energy over a wide range of coupling parameter using Monte--Carlo data in the thermodyn…
Molecular dynamics of nondegenerate hydrogen plasma using improved Kelbg pseudopotential with electron finite-size correction
G. S. Demyanov, P. R. Levashov
This paper is devoted to semiclassical molecular dynamics simulation of nondegenerate hydrogen plasma using an improved Kelbg pseudopotential. The main novelty of our method is acc…
Stability of a Nondegenerate Two--Component Weakly Coupled Plasma
G. S. Demyanov, P. R. Levashov
The paper discusses the problem of stability of a two-component plasma and proposes a consistent consideration of quantum and long-range effects to calculate the thermodynamic prop…
One--Component Plasma of a Million Particles via angular--averaged Ewald potential: A Monte Carlo study
G. S. Demyanov, P. R. Levashov
In this work, we derive a correct expression for the one--component plasma (OCP) energy via the angular--averaged Ewald potential (AAEP). Unlike E.~Yakub and C.~Ronchi (J. Low Temp…
Derivation of the Kelbg potential/functional
G. S. Demyanov, P. R. Levashov
The density matrix for a system of particles interacting via the Coulomb potential is obtained in the high--temperature limit following almost entirely the original work by Kelbg.…
Systematic derivation of angular--averaged Ewald potential
G. S. Demyanov, P. R. Levashov
In this work we provide a step by step derivation of an angular--averaged Ewald potential suitable for numerical simulations of disordered Coulomb systems. The potential was first…
Ab initio inspection of thermophysical experiments for zirconium near melting
M. A. Paramonov, D. V. Minakov, V. B. Fokin +3
We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data…