Grigory Smirnov

Publications¹⁷

• Article Anatoly B. Belonoshko, Grigory S. Smirnov. A Comparison of Experimental and Ab Initio Structural Data on Fe under Extreme Conditions // Metals. 2023. Vol. 13. No. 6. Article 1096. doi
• Article Glushak A., Smirnov G. Partial proton ordering during phase transition in Friedel's salt // Applied Clay Science. 2023. Vol. 243. Article 107072. doi
• Article Tararushkin E., Smirnov G., Kalinichev A. G. Structure and properties of water in a new model of the 10-Å phase: classical and ab Initio atomistic computational modeling // Minerals. 2023. Vol. 13. No. 8. Article 1018. doi
• Article Belonoshko A., Fu J., Smirnov G. Free energies of iron phases at high pressure and temperature: Molecular dynamics study // Physical Review B: Condensed Matter and Materials Physics. 2021. Vol. 104. No. 10. Article 104103. doi
• Article Smirnov G. Non-Arrhenius diffusion in bcc titanium: vacancy-interstitialcy model // Physical Review B: Condensed Matter and Materials Physics. 2020. Vol. 102. P. 184110-1-184110-8. 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
• 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
• 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
• 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 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 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
• 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 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
• 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 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 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.