Molecular dynamics analysis of elastic properties and new phase formation during amorphous ices transformations von Garkul, Anastasiia, Stegailov, Vladimir

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First-principles molecular dynamics of exciton-driven initial stage of plasma phase transition in warm dense molecular nitrogen von Fedorov, Ilya D., Stegailov, Vladimir V.

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GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP von Kondratyuk, Nikolay, Nikolskiy, Vsevolod, Pavlov, Daniil, Stegailov, Vladimir

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Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes von Kondratyuk, Nikolay D., Norman, Genri E., Stegailov, Vladimir V.

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Exciton Nature of Plasma Phase Transition in Warm Dense Fluid Hydrogen: ROKS Simulation von Fedorov, Ilya D., Stegailov, Vladimir V.

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Melting and superheating of sI methane hydrate: Molecular dynamics study von Smirnov, Grigory S., Stegailov, Vladimir V.

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GPU-based molecular dynamics of fluid flows: Reaching for turbulence von Pavlov, Daniil, Galigerov, Vladislav, Kolotinskii, Daniil, Nikolskiy, Vsevolod, Stegailov, Vladimir

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Toward Determination of the New Hydrogen Hydrate Clathrate Structures von Smirnov, Grigory S, Stegailov, Vladimir V

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Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations von Stegailov, Vladimir, Dlinnova, Ekaterina, Ismagilov, Timur, Khalilov, Mikhail, Kondratyuk, Nikolay, Makagon, Dmitry, Semenov, Alexander, Simonov, Alexei, Smirnov, Grigory, Timofeev, Alexey

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Helium bubbles diffusion in aluminum: Influence of gas pressure von Antropov, Alexander, Stegailov, Vladimir

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High temperature pure carbon nanoparticle formation: Validation of AIREBO and ReaxFF reactive molecular dynamics von Orekhov, Nikita, Ostroumova, Gulnaz, Stegailov, Vladimir

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Nanobubbles diffusion in bcc uranium: Theory and atomistic modelling von Antropov, Alexander, Stegailov, Vladimir

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Nonadiabatic effects and excitonlike states during the insulator-to-metal transition in warm dense hydrogen von Fedorov, Ilya D., Orekhov, Nikita D., Stegailov, Vladimir V.

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Ultrafast diffusion of overpressurized gas filled nanobubbles in UO2 von Antropov, Alexander, Stegailov, Vladimir

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Ultrafast diffusion of overpressurized gas filled nanobubbles in UO 2 von Antropov, Alexander, Stegailov, Vladimir

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Nanomodification of gold surface by picosecond soft x-ray laser pulse von Norman, Genri, Starikov, Sergey, Stegailov, Vladimir, Fortov, Vladimir, Skobelev, Igor, Pikuz, Tatyana, Faenov, Anatoly, Tamotsu, Sataoshi, Kato, Yoshiaki, Ishino, Masahiko, Tanaka, Momoko, Hasegawa, Noboru, Nishikino, Masaharu, Ohba, Toshiuki, Kaihori, Takeshi, Ochi, Yoshihiro, Imazono, Takashi, Fukuda, Yuji, Kando, Masaki, Kawachi, Tetsuya

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Reactive molecular-dynamics study of onion-like carbon nanoparticle formation von Ostroumova, Gulnaz, Orekhov, Nikita, Stegailov, Vladimir

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Atomistic model of an oxide film in contact with a liquid metal coolant: Defects concentrations and chemical potentials of dissolved Fe–O von Fominykh, Nikita A., Nikolskiy, Vsevolod P., Stegailov, Vladimir V.

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Comparison of neutron induced fission and capture in Np-237 and Pu-239 irradiated in QUINTA assembly with 660 MeV proton beam von Kilim, Stanislaw, Strugalska-Gola, Elzbieta, Szuta, Marcin, Bielewicz, Marcin, Tyutyunnikov, Sergey, Stegailov, Vladimir

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Np-237 incineration study in various beams in ADS setup QUINTA von Kilim, Stanisław, Strugalska-Gola, Elżbieta, Szuta, Marcin, Bielewicz, Marcin, Tyutyunnikov, Sergej I., Furman, Walter I., Adam, Jindra, Stegailov, Vladimir I.

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