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Frenkel pair formation energy for cubic Fe3O4 in DFT + U calculations

Journal of physics. Condensed matter, 2022-11, Vol.34 (47)

2022

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Frenkel pair formation energy for cubic Fe3O4in DFT + U calculations

Journal of physics. Condensed matter, 2022-11, Vol.34 (47)

2022

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Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes

The Journal of chemical physics, 2016-11, Vol.145 (20), p.204504-204504

2016

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Formation free energies of point defects and thermal expansion of bcc U and Mo

Journal of physics. Condensed matter, 2019-06, Vol.31 (23), p.235704-235704

2019

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Polarons and Charge Transfer in FeCr2O4 Chromite Treated by the DFT + U Method

JETP letters, 2023-06, Vol.117 (11), p.849-853

2023

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Melting and superheating of sI methane hydrate: Molecular dynamics study

The Journal of chemical physics, 2012-01, Vol.136 (4), p.044523-044523-5

2012

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Vacancy Formation Energy in the Cubic Phase of Magnetite in the Framework of the DFT+U Method

Journal of experimental and theoretical physics, 2021-08, Vol.133 (2), p.206-228

2021

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Dissociation of Exciton States in Warm Dense Hydrogen

JETP letters, 2021-03, Vol.113 (6), p.396-401

2021

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Warm dense gold: effective ion-ion interaction and ionisation

Molecular physics, 2016-02, Vol.114 (3-4), p.509-518

2016

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Toward Determination of the New Hydrogen Hydrate Clathrate Structures

The journal of physical chemistry letters, 2013-11, Vol.4 (21), p.3560-3564

2013

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Atomistic Modeling of Warm Dense Matter in the Two-Temperature State

Contributions to plasma physics (1988), 2013-02, Vol.53 (2), p.129-139

2013

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Formation, Diffusion, and Growth of Gas Bubbles in γ-Uranium with the Excess of Interstitial Atoms: Relation between Molecular Dynamics and Kinetics

Journal of experimental and theoretical physics, 2023-02, Vol.136 (2), p.174-184

2023

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Main magnetic focus ion source: Device with high electron current density

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2021-09, Vol.502, p.23-28

2021

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Interatomic potential for uranium in a wide range of pressures and temperatures

Journal of physics. Condensed matter, 2012-01, Vol.24 (1), p.015702-8

2012

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Ab initio calculation of shocked xenon reflectivity

Physical review. E, Statistical, nonlinear, and soft matter physics, 2015-02, Vol.91 (2), p.023105-023105, Article 023105

2015

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Floating-point performance of ARM cores and their efficiency in classical molecular dynamics

Journal of physics. Conference series, 2016-02, Vol.681 (1), p.12049

2016

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Study of the effect of photon self-absorption on the detection efficiency of HPGe detector in measurements of an activated uranium sample

Applied radiation and isotopes, 2023-06, Vol.196, p.110770-110770, Article 110770

2023

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Relationship between Surface Self-Diffusion and Bubble Mobility in Solids: Theory and Atomistic Simulation

Journal of experimental and theoretical physics, 2019-07, Vol.129 (1), p.103-111

2019

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Domain-Decomposition Parallelization for Molecular Dynamics Algorithm with Short-Ranged Potentials on Epiphany Architecture

Lobachevskii journal of mathematics, 2018-11, Vol.39 (9), p.1228-1238

2018

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Pressure in electronically excited warm dense metals

Contributions to plasma physics (1988), 2015-02, Vol.55 (2-3), p.164-171

2015

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Atomistic simulation of laser ablation of gold: Effect of pressure relaxation

Journal of experimental and theoretical physics, 2012-05, Vol.114 (5), p.792-800

2012

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Molecular-dynamics based insights into the problem of graphite melting

Journal of physics. Conference series, 2015-11, Vol.653 (1), p.12090

2015

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Swift heavy ion track formation in nanoporous Si: Wave packet molecular dynamics study

Journal of physics. Conference series, 2018-01, Vol.946 (1), p.12026

2018

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Phonon density of states for solid uranium: Accuracy of the embedded atom model classical interatomic potential

Journal of physics. Conference series, 2018-01, Vol.946 (1), p.12094

2018

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A ternary EAM interatomic potential for U-Mo alloys with xenon

Modelling and simulation in materials science and engineering, 2013-04, Vol.21 (3), p.35011-24

2013

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Frenkel pair formation energy for cubic Fe3O4 in DFT + U calculations

Frenkel pair formation energy for cubic Fe3O4in DFT + U calculations

Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes

Formation free energies of point defects and thermal expansion of bcc U and Mo

Polarons and Charge Transfer in FeCr2O4 Chromite Treated by the DFT + U Method

Melting and superheating of sI methane hydrate: Molecular dynamics study

Vacancy Formation Energy in the Cubic Phase of Magnetite in the Framework of the DFT+U Method

Dissociation of Exciton States in Warm Dense Hydrogen

Warm dense gold: effective ion-ion interaction and ionisation

Toward Determination of the New Hydrogen Hydrate Clathrate Structures

Atomistic Modeling of Warm Dense Matter in the Two-Temperature State

Formation, Diffusion, and Growth of Gas Bubbles in γ-Uranium with the Excess of Interstitial Atoms: Relation between Molecular Dynamics and Kinetics

Main magnetic focus ion source: Device with high electron current density

Interatomic potential for uranium in a wide range of pressures and temperatures

Ab initio calculation of shocked xenon reflectivity

Floating-point performance of ARM cores and their efficiency in classical molecular dynamics

Study of the effect of photon self-absorption on the detection efficiency of HPGe detector in measurements of an activated uranium sample

Relationship between Surface Self-Diffusion and Bubble Mobility in Solids: Theory and Atomistic Simulation

Domain-Decomposition Parallelization for Molecular Dynamics Algorithm with Short-Ranged Potentials on Epiphany Architecture

Pressure in electronically excited warm dense metals

Atomistic simulation of laser ablation of gold: Effect of pressure relaxation

Molecular-dynamics based insights into the problem of graphite melting

Swift heavy ion track formation in nanoporous Si: Wave packet molecular dynamics study

Phonon density of states for solid uranium: Accuracy of the embedded atom model classical interatomic potential

A ternary EAM interatomic potential for U-Mo alloys with xenon

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