Petr Zhilyaev

Senior Research Scientist
Center for Materials Technologies

Supervisor: Ivan Sergeichev


Petr conducted research on the calculation of surface tension in Lenard-Jones system.  Now he is also actively involved in studying graphene nanobubbles via a molecular dynamics and conducting research on neural networks for developing exchange-correlational functionals.

Petr graduated from the Moscow Institute for Physics and Technology with honors in 2011. He started his scientific career in 2007 in Joint Institute for High Temperature of the Russian Academy of Sciences. He got Candidate of Science degree in condensed-matter physics in 2015. Petr’s research was dedicated to the numerical investigation of spall phenomenon in single crystals of aluminum. He also conducted studies in the field of two-temperature effect that occurs during ultra-fast laser heating. During his research, Petr worked on top level supercomputers: MIPT 60, “Lomonosov” (MSU), JSCC RAS, IPM “K100″, ALCF “Mira” (Blue Gene Argonne National Lab). He has a solid list of publications with some papers published in peer-reviewed journals. Petr spoke at international conferences and attended tutorials at École Polytechnique Fédérale De Lausanne (EPFL), Switzerland, and a summer school at Cardiff University, UK.

  • Molecular Dynamics
  • Denstiy Functional Theory
  • Multiphase and multicomponent systems
  • Additive manufacturing
  • Spraying techniques
  • Micro manufacturing
  • M.A. Korneva, S.V. Starikov, A.P. Zhilyaev, I.S. Akhatov, P.A. Zhilyaev. Atomistic Modeling of Grain Boundary Migration in Nickel // Advanced Engineering Materials. 2020. 22 (10), 2000115
  • V.A. Petrov, O.A. Ranjbar, P.A. Zhilyaev, A.N. Volkov. Kinetic simulations of laser-induced plume expansion from a copper target into a vacuum or argon background gas based on ab initio calculation of Cu–Cu, Ar–Ar, and Ar–Cu interactions // Physics of Fluids. 2020. 32 (10), 102010
  • A. Ryabov, I. Akhatov, P. Zhilyaev. Neural network interpolation of exchange-correlation functional // Scientific reports. 2020. 10 (1), 1-7
  • E.S. Iakovlev, P.A. Zhilyaev, I.S. Akhatov. Adhesion energy of ethane–graphite interface: Atomistic study // Journal of Physics: Conference Series. 2020. 1556 (1), 012052
  • T.F. Aslyamov, E.S. Iakovlev, I.S. Akhatov, P.A. Zhilyaev. Model of graphene nanobubble: Combining classical density functional and elasticity theories // The Journal of Chemical Physics. 2019. 152 (5), 054705
  • P. Zhilyaev, E. Iakovlev, I. Akhatov. Liquid–gas phase transition of Ar inside graphene nanobubbles on the graphite substrate  // Nanotechnology. 2019. 30 (21), 215701
  • E. Iakovlev, P. Zhilyaev, I.S. Akhatov. Modeling of the phase transition inside graphene nanobubbles filled with ethane // Physical Chemistry Chemical Physics. 2019. V 21, 18099-18104
  • E.S. Iakovlev, P.A. Zhilyaev, I.S. Akhatov. Obtaining the state of matter inside graphene nanobubble from its shape // Journal of Physics: Conference Series. 2019.  V. 1147 (1), 012006
  • I. Ostanin, P. Zhilyaev, V. Petrov, T. Dumitrica, S. Eibl, U. Ruede. Toward large scale modeling of carbon nanotube systems with the mesoscopic distinct element method // Letters on Materials. 2018. V 8 (3), 240-245
  • E. Iakovlev, P. Zhilyaev, I. Akhatov. Atomistic study of the solid state inside graphene nanobubbles // Scientific reports. 2017. V. 7 (1), 17906
  • V.V. Stegailov,  P.A. Zhilyaev. Warm dense gold: effective ion–ion interaction and ionization  // Molecular Physics. 2016. V. 114. N. 3-4. P. 509-518
  • G.E. Norman, I.M. Saitov, V.V. Stegailov, P.A. Zhilyaev. Atomistic Modelling and Simulation of Warm Dense Matter. Conductivity and Reflectivity // Contributions to Plasma Physics. 2013, 53(4), 300-310
  •  G.E. Norman, S.V. Starikov, V.V. Stegailov, I.M. Saitov,  P.A. Zhilyaev. Atomistic Modeling of Warm Dense Matter in the Two-Temperature State // Contributions to Plasma Physics. 2013, 53(2), 129-139
  • A.V. Yanilkin, P.A. Zhilayev, A. Yu. Kuksin, G.E. Norman, V.V. Pisarev, V.V. Stegailov. The use of supercomputers to molecular dynamics simulation of processes in condensed matter // Computational Methods and Programming.  2010, 11, 111-116 (in Russian)
  • P.A. Zhilyaev, A.Y. Kuksin, V.V. Stegaǐlov, A.V. Yanilkin. Influence of plastic deformation on fracture of an aluminum single crystal under shock-wave loading  // Physics of the Solid State. 2010, 52(8), 1619-1624
  • A.Yu. Kuksin, G.E. Norman,  V.V. Stegailov, A.V. Yanilkin, P.A. Zhilyaev. Dynamic fracture kinetics, influence of temperature and microstructure in the atomistic model of aluminum // International Journal of Fracture. 2010, 162(1-2) 127-136
  • P.A. Zhilyaev, A.V. Yanilkin, A.Yu. Kuksin, V.V. Stegailov.  Influence of temperature on spall strength: Atomistic simulation // AIP Conference Proceedings. 2009, 1195, 785-788

2015:  PhD student of Moscow Institute of Physics and Technology Dolgoprudny, Moscow District, Russia

2011:  MS with honors (Applied Mathematics and Physics). Moscow Institute of Physics and Technology, Dolgoprudny, Moscow District, Russia

2009 :  BS with honors (Applied Mathematics and Physics). Moscow Institute of Physics and Technology, Dolgoprudny, Moscow District, Russia