Vladimir Stegailov

Publications⁷⁵

• Article Ilya D. Fedorov, Vladimir V. Stegailov. Exciton Nature of Plasma Phase Transition in Warm Dense Fluid Hydrogen: ROKS Simulation // ChemPhysChem. 2023. Vol. 24. No. 6. Article e202200730. doi
• Article Antropov A., Stegailov V. Helium bubbles diffusion in aluminum: Influence of gas pressure // Journal of Nuclear Materials. 2023. Vol. 573. Article 154123. doi
• Article Kolotinskii D. A., Nikolaev V. S., V. V. Stegailov, A. V. Timofeev. Point Defect Model for the kinetics of oxide film growth on the surface of T91 steel in contact with lead–bismuth eutectic // Corrosion Science. 2023. Vol. 211. Article 110829. doi
• Article Shutikova M. I., V. V. Stegailov. Frenkel pair formation energy for cubic Fe3O4 in DFT + U calculations // Journal of Physics: Condensed Matter. 2022. Vol. 34. No. 47. Article 475701. doi
• Article Garkul A., Stegailov V. Molecular dynamics analysis of elastic properties and new phase formation during amorphous ices transformations // Scientific Reports. 2022. Vol. 12. No. 1. Article 13325. doi
• Chapter Choi Y. R., Stegailov V. Multi-GPU GEMM Algorithm Performance Analysis for Nvidia and AMD GPUs Connected by NVLink and PCIe, in: 22nd International Conference, MMST 2022, Nizhny Novgorod, Russia, November 14–17, 2022, Revised Selected Papers. Springer, 2022. doi Ch. 23. P. 281-292. doi
• Chapter Pugachev L., Umarov I., Popov V., Andreev N., Stegailov V., Alexei Timofeev. PIConGPU on Desmos Supercomputer: GPU Acceleration, Scalability and Storage Bottleneck, in: Supercomputing: 8th Russian Supercomputing Days, RuSCDays 2022, Moscow, Russia, September 26–27, 2022, Revised Selected Papers Vol. 13708. Springer, 2022. doi P. 290-302. doi
• Chapter Timofeev A., Shamsutdinov A., Khalilov M., Ismagilov T., Piryugin A., Biryukov S., Stegailov V. Performance of Supercomputers Based on Angara Interconnect and Novel AMD CPUs/GPUs, in: 22nd International Conference, MMST 2022, Nizhny Novgorod, Russia, November 14–17, 2022, Revised Selected Papers. Springer, 2022. doi P. 401-416. doi
• Chapter Choi Y. R., Nikolskiy V., Stegailov V. Tuning of a Matrix-Matrix Multiplication Algorithm for Several GPUs Connected by Fast Communication Links, in: Parallel Computational Technologies: 16th International Conference, PCT 2022, Dubna, Russia, March 29–31, 2022, Revised Selected Papers. Springer, 2022. doi Ch. 12. P. 158-171. doi
• Article Kondratyuk N., Nikolskiy V., Pavlov D., Stegailov V. GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP // International Journal of High Performance Computing Applications. 2021. Vol. 35. No. 4. P. 312-324. doi
• Article И. Д. Федоров, В. В. Стегайлов. Диссоциация экситонных состояний в разогретом плотном водороде / Пер. с рус.: K. Kugel. // JETP Letters. 2021. Vol. 113. No. 6. P. 392-398. doi
• Chapter Dlinnova E., Biryukov S., Stegailov V. Energy Consumption of MD Calculations on Hybrid and CPU-Only Supercomputers with Air and Immersion Cooling, in: Parallel Computing: Technology Trends. Amsterdam: IOS Press, 2020. P. 574-582. doi
• Chapter Nikolskiy V., Stegailov V. GPU Acceleration of Four-Site Water Models in LAMMPS, in: Parallel Computing: Technology Trends. Amsterdam: IOS Press, 2020. P. 565-573. doi
• Article Orekhov N. D., Ostroumova G., Stegailov V. High temperature pure carbon nanoparticle formation: Validation of AIREBO and ReaxFF reactive molecular dynamics // Carbon. 2020. Vol. 170. P. 606-620. doi
• Chapter Choi Y. R., Nikolskiy V., Stegailov V. Matrix-Matrix Multiplication Using Multiple GPUs Connected by Nvlink, in: 2020 Global Smart Industry Conference (GloSIC). IEEE, 2020. doi P. 354-361. doi
• Article Antropov A., Stegailov V. Nanobubbles diffusion in bcc uranium: Theory and atomistic modelling // Journal of Nuclear Materials. 2020. Vol. 533. P. 152110. doi
• Article Fedorov I., Orekhov N. D., Stegailov V. Nonadiabatic effects and excitonlike states during the insulator-to-metal transition in warm dense hydrogen // Physical Review B: Condensed Matter and Materials Physics. 2020. Vol. 101. No. 10. Article 100101. doi
• Chapter Kuznetsov E., Kondratyuk N., Logunov M., Nikolskiy V., Stegailov V. Performance and portability of state-of-art molecular dynamics software on modern GPUs, in: PPAM 2019: Parallel Processing and Applied Mathematics. Lecture Notes in Computer Science Vol. 12043: 13th International Conference, PPAM 2019, Bialystok, Poland, September 8–11, 2019, Revised Selected Papers, Part I. Springer, 2020. doi P. 324-334. doi
• Article Stegailov V., Dlinnova E., Ismagilov T., Khalilov M., Kondratyuk N., Makagon D., Semenov A., Simonov A., Smirnov G., Timofeev A. Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations // International Journal of High Performance Computing Applications. 2019. Vol. 33. No. 3. P. 507-521. doi
• Chapter Stegailov V., Timofeev A. Deploying Elbrus VLIW CPU Ecosystem for Materials Science Calculations: Performance and Problems., in: Supercomputing. RuSCDays 2018. Communications in Computer and Information Science, vol 965. Springer, Cham. Springer, 2019. P. 543-553. doi
• Article Smirnov G., Stegailov V. Formation free energies of point defects and thermal expansion of bcc U and Mo // Journal of Physics: Condensed Matter. 2019. Vol. 31. No. 23. P. 1-11. doi
• Chapter Kondratyuk N., Smirnov G., Agarkov A., Osokin A., Nikolskiy V., Semenov A., Stegailov V. Performance and Scalability of Materials Science and Machine Learning Codes on the State-of-Art Hybrid Supercomputer Architecture, in: Supercomputing. RuSCDays 2019. Communications in Computer and Information Science Vol. 1129: Supercomputing. RuSCDays 2019. Springer, 2019. doi P. 597-609. doi
• Article Остроумова Г. М., Орехов Н. Д., Stegailov V. Reactive molecular-dynamics study of onion-like carbon nanoparticle formation // Diamond and Related Materials. 2019. Vol. 94. P. 14-20. doi
• Chapter Nikolskiy V., Stegailov V. Classic Molecular Dynamics Algorithm For Many-Core Processor Architecture Epiphany: Performance And Efficiency, in: Параллельные Вычислительные Технологии (ПАВТ'2018) Ростов-на-Дону, 02-06 апреля 2018 г. Челябинск : Издательский центр ЮУрГУ, 2018. P. 139-152.
• Chapter Stegailov V., Timofeev A. Deploying Elbrus VLIW CPU ecosystem for materials science calculations: performance and problems, in: Суперкомпьютерные дни в России: Труды международной конференции (24-25 сентября 2018 г., г. Москва). М. : МГУ, 2018. P. 149-159.
• Article Nikolskiy V., Stegailov V. Domain-Decomposition Parallelization for Molecular Dynamics Algorithm with Short-Ranged Potentials on Epiphany Architecture // Lobachevskii Journal of Mathematics. 2018. Vol. 39. No. 9. P. 1228-1238. doi
• Chapter Stegailov V., Agarkov A., Biryukov S., Ismagilov T., Khalilov M., Kondratyuk N., Kushtanov E., Makagon D., Mukosey A., Semenov A., Simonov A., Timofeev A., Vecher V. Early Performance Evaluation of the Hybrid Cluster with Torus Interconnect Aimed at Molecular-Dynamics Simulations, in: Parallel Processing and Applied Mathematics. 12th International Conference, PPAM 2017, Lublin, Poland, September 10-13, 2017, Revised Selected Papers, Part II, Vol. 10778: 12th International Conference, PPAM 2017, Lublin, Poland, September 10-13, 2017, Revised Selected Papers, Part II. Cham, Switzerland : Springer, 2018. doi P. 327-336. doi
• Article Nikolskiy V., Stegailov V. Graphics-processing-unit-accelerated finite-difference time-domain simulation of the interaction between ultrashort laser pulses and metal nanoparticles // Journal of Physics: Conference Series. 2018. Vol. 946. No. 012011. P. 1-4. doi
• Chapter Kondratyuk N., Smirnov G., Dlinnova E., Biryukov S., Stegailov V. Hybrid Supercomputer Desmos with Torus Angara Interconnect: Efficiency Analysis and Optimization, in: Communications in Computer and Information Science Vol. 910: Parallel Computational Technologies. Springer, 2018. doi P. 77-91. doi
• Chapter Stegailov V., Дергунов Д. О., Timofeev A. Performance of Elbrus Processors for Computational Materials Science Codes and Fast Fourier Transform, in: Communications in Computer and Information Science Vol. 910: Parallel Computational Technologies. Springer, 2018. doi P. 92-103. doi
• Article Smirnov G., Pisarev V., Stegailov V. Pseudopotential for ab initio calculations of uranium compounds // Journal of Physics: Conference Series. 2018. Vol. 946. P. 012095-1-012095-6. doi
• Article Kondratyuk N., Norman G., Stegailov V. Quantum nuclear effects in water using centroid molecular dynamics // Journal of Physics: Conference Series. 2018. Vol. 946. No. 012109. P. 1-7. doi
• Chapter Stegailov V., Vecher V. Efficiency Analysis of Intel and AMD x86_64 Architectures for Ab Initio Calculations: A Case Study of VASP, in: Communications in Computer and Information Science Book 793: Supercomputing. Switzerland : Springer, 2017. doi P. 430-441. doi
• Article Smirnov Grigory, Stegailov Vladimir. Pseudopotential for electronic structure calculations of uranium compounds // Lobachevskii Journal of Mathematics. 2017. Vol. 38. No. 5. P. 974-977. doi
• Chapter Никольский В. П., Стегайлов В. В. КАК ПРИБЛИЗИТЬСЯ С ПИКОВОМУ ЗНАЧЕНИЮ FLOPS/S? СРАВНЕНИЕ АРХИТЕКТУР X86 И ARMV8 // В кн.: Суперкомпьютерные дни в России: Труды международной конференции (25-26 сентября 2017 г., г. Москва). М. : Издательство МГУ, 2017. С. 595-606.
• Chapter Norman G., Pisarev V., Smirnov G., Stegailov V. Atomistic Modeling and Simulation for Solving Gas Extraction Problems, in: Molecular Modeling and Simulation. Applications and Perspectives. Singapore : Springer, 2016. doi P. 137-151. doi
• Chapter Norman G., Pisarev V., Smirnov G., Stegailov V. Atomistic Modeling and Simulation for Solving Gas Extraction Problems, in: Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2015. Singapore : Springer, 2016. doi Ch. 9. P. 137-151. doi
• Chapter Nikolskiy V., Stegailov V., Vecher V. Efficiency of the Tegra K1 and X1 systems-on-chip for classical molecular dynamics, in: 2016 International Conference on High Performance Computing and Simulation, HPCS 2016. Нью-Йорк : IEEE Computer Society, 2016. P. 682-689. doi
• Article Nikolskiy V., Stegailov V. Floating-point performance of ARM cores and their efficiency in classical molecular dynamics // Journal of Physics: Conference Series. 2016. Vol. 681. No. 012049. P. 1-6. doi
• Chapter Vecher V., Nikolskiy V., Stegailov V. GPU-accelerated molecular dynamics: Energy consumption and performance, in: Supercomputing. RuSCDays 2016. Communications in Computer and Information Science. Revised Selected Papers. Vol. 687. Springer, 2016. P. 78-90. doi
• Article Kondratyuk N., Norman G., Stegailov V. Microscopic mechanisms of diffusion of higher alkanes / Пер. с рус. // Polymer Science - Series A. 2016. Vol. 58. No. 5. P. 825-836. doi
• Chapter Nikolskiy V., Vecher V., Stegailov V. Performance of MD-Algorithms on hybrid systems-on-chip Nvidia Tegra K1 & X1, in: Supercomputing. RuSCDays 2016. Communications in Computer and Information Science. Revised Selected Papers. Vol. 687. Springer, 2016. P. 199-211. doi
• Article Kondratyuk N., Norman G., Stegailov V. Rheology of liquid n-triacontane: Molecular dynamics simulation // Journal of Physics: Conference Series. 2016. Vol. 774. No. 012039. P. 1-9. doi
• Article Kondratyuk N., Norman G., Stegailov V. Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes // Journal of Chemical Physics. 2016. Vol. 145. No. 204504. P. 204504-1-204504-9. doi
• Article Orekhov N., Stegailov V. Simulation of the Adhesion Properties of the Polyethylene/Carbon Nanotube Interface / Пер. с рус. // Polymer Science - Series A. 2016. Vol. 58. No. 3. P. 476-486. doi
• Article Stegailov V., Zhilyaev P. Warm dense gold: effective ion–ion interaction and ionisation // Molecular Physics. 2016. Vol. 114. No. 3-4. P. 509-518. doi
• Article Кондратюк Н. Д., Норман Г. Э., Стегайлов В. В. Микроскопические механизмы диффузии высших алканов // Высокомолекулярные соединения. Серия А. 2016. Т. 58. № 5. С. 519-531. doi
• Article Смирнов Г. С., Стегайлов В.В. Эффективность алгоритмов классической молекулярной динамики на суперкомпьютерном аппаратном обеспечении // Математическое моделирование. 2016. Т. 28. № 5. С. 95-108. doi
• Article Norman G., Saitov I., Stegailov V., Zhilyaev P. A. Ab initio calculation of shocked xenon reflectivity // Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 2015. Vol. 91. No. 023105. P. 1-10. doi
• Article Veshchunov M., Boldyrev A., Kuznetsov A., Ozrin V., Seryi M., Shestak V., Tarasov V., Norman G.E., Kuksin A., Pisarev V.V., Smirnova D., Starikov S., Stegailov V., Yanilkin A. Development of the advanced mechanistic fuel performance and safety code using the multi-scale approach // Nuclear Engineering and Design. 2015. Vol. 295. P. 116-126. doi
• Article Norman G., Saitov I., Stegailov V. First-principles calculation of the reflectance of shock-compressed xenon // Journal of Experimental and Theoretical Physics. 2015. Vol. 120. No. 5. P. 894-904. doi
• Article Orekhov N. D., Stegailov V. Graphite melting: Atomistic kinetics bridges theory and experiment // Carbon. 2015. Vol. 87. P. 358-364. doi
• Article Stegailov V., Orekhov N., Smirnov G. HPC Hardware Efficiency for Quantum and Classical Molecular Dynamics // Lecture Notes in Computer Science. 2015. Vol. 9251. P. 469-473. doi
• Chapter Orekhov N. D., Stegailov V. Molecular–Dynamics Based Insights into the Problem of Graphite Melting, in: Computational Materials and Biological Sciences. [б.и.], 2015.
• Chapter Smirnov G., Stegailov V. Phase diagrams of gas hydrates: molecular simulation studies, in: Computational Materials and Biological Sciences. [б.и.], 2015. P. 175-185.
• Article Norman G., Saitov I., Stegailov V. Plasma-Plasma and Liquid-Liquid First-Order Phase Transitions // Contributions to Plasma Physics. 2015. Vol. 55. No. 2-3. P. 215-221. doi
• Article Stegailov V., Zhilyaev P. A. Pressure in electronically excited warm dense metals // Contributions to Plasma Physics. 2015. Vol. 55. No. 2-3. P. 164-171. doi
• Article Kondratyuk N., Lankin A., Norman G., Stegailov V. Relaxation and transport properties of liquid n-triacontane // Journal of Physics: Conference Series. 2015. Vol. 653. No. 012107. P. 1-9. doi
• Article Смирнов Г. С., Стегайлов В. В. Аномальная диффузия молекул-гостей в водородных газовых гидратах // Теплофизика высоких температур. 2015. Т. 53. № 6. С. 872-880. doi
• Article Норман Г. Э., Саитов И. М., Стегайлов В. В. Расчет коэффициента отражения ударно сжатого ксенона из первых принципов // Журнал экспериментальной и теоретической физики. 2015. Т. 147. № 5. С. 1032-1044.
• Article Никольский В. П., Стегайлов В. В. Эффективность процессоров архитектуры ARM для расчетов классической молекулярной динамики // Вычислительные методы и программирование. 2015. Т. 16. С. 578-585.
• Article Orekhov N., Stegailov V. Molecular dynamics simulation of graphite melting / Пер. с рус. // High Temperature. 2014. Vol. 52. No. 2. P. 199-205. (in press)
• Article Тимофеев А. В., Морозов И. В., Стегайлов В. В., Норман Г. Э., Куксин А. Ю., Ланкин А. В., Орехов Н. Д., Писарев В. В., Смирнов Г. С., Стариков С. В. ЗАЧЕМ и КАКИЕ нужны суперкомпьютеры эксафлопсного класса? Предсказательное моделирование свойств и многомасштабных процессов в материаловедении // Программные системы: теория и приложения. 2014. Т. 5. № 1. С. 191-244.
• Article Стегайлов В. В., Норман Г. Э. Проблемы развития суперкомпьютерной отрасли в России: взгляд пользователя высокопроизводительных систем // Программные системы: теория и приложения. 2014. Т. 5. № 1. С. 111-152.
• Article Smirnova D., Kuksin A., Starikov S., Stegailov V., Insepov Z., Rest J., Yacout A. A ternary EAM interatomic potential for U–Mo alloys with xenon // Modelling and Simulation in Materials Science and Engineering. 2013. Vol. 21. No. 035011. P. 1-24.
• Article Zhilyaev P., Norman G., Stegailov V. Ab initio calculations of thermal conductivity of metals with hot electrons / Пер. с рус. // Doklady Physics. 2013. Vol. 58. No. 8. P. 334-338.
• Article Kuksin A., Rokhmanenkov A., Stegailov V. Atomic positions and diffusion paths of H and He in the α-Ti lattice / Пер. с рус. // Physics of the Solid State. 2013. Vol. 55. No. 2. P. 367-372.
• Article Norman G., Saitov I., Stegailov V., Zhilyaev P. Atomistic modelling and simulation of warm dense matter. Conductivity and reflectivity // Contributions to Plasma Physics. 2013. Vol. 53. No. 4-5. P. 300-310.
• Article Norman G., Stegailov V. Stochastic theory of the classical molecular dynamics method / Пер. с рус. // Mathematical Models and Computer Simulations. 2013. Vol. 5. No. 4. P. 305-333.
• Article Smirnov G., Stegailov V. Toward determination of the new hydrogen hydrate clathrate structures // The Journal of Physical Chemistry Letters. 2013. Vol. 3. No. 21. P. 3560-3564.
• Article Norman G., Starikov S., Stegailov V. Atomistic simulation of laser ablation of gold: effect of pressure relaxation / Пер. с рус. // Journal of Experimental and Theoretical Physics. 2012. Vol. 114. No. 5. P. 792-800.
• Article Insepov Z., Rest J., Yacout A., Kuksin A., Norman G., Stegailov V., Starikov S., Yanilkin A. Derivation of kinetic coefficients by atomistic methods for studying defect behavior in Mo // Journal of Nuclear Materials. 2012. Vol. 425. P. 41-47.
• Article Smirnova D., Starikov S., Stegailov V. Interatomic potential for uranium in a wide range of pressures and temperatures // Journal of Physics: Condensed Matter. 2012. Vol. 24. No. 015702. P. 1-8.
• Article Smirnov G., Stegailov V. Melting and superheating of sI methane hydrate: Molecular dynamics study // Journal of Chemical Physics. 2012. Vol. 136. No. 044523. P. 1-5.
• Article Norman G., Starikov S., Stegailov V., Fortov V., Skobelev I., Pikuz T., Faenov A., Tamotsu S., Kato Y., Ishino M., Tanaka M., Hasegawa N., Nishikino M., Ohba T., Kaihori T., Ochi Y., Imazono T., Fukuda Y., Kando M., Kawachi T. Nanomodification of gold surface by picosecond soft x-ray laser pulse // Journal of Applied Physics. 2012. Vol. 112. No. 013104. P. 1-8.