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MOLECULAR DYNAMICS SIMULATION  
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Alexey Yu.Aleynikov

Alexey Yu.Aeynikov  
Email: AAleynikov@sarovlabs.com
 
Education:
  • M.S., Applied Mathematics, Obninsk Institute of Atomic Power Engineering (honors diplom in 1996).
Research Interests:
  • Numerical modeling of material properties with usage of the classical molecular dynamycs (MD) and ab initio methods;
  • Development of the software for MD simulation (SageMD is own general purpose MD code), parameterization and realization of many-body potential (SW, Tersoff, Maruyama, Watanabe);
  • Experience in the development of the computer programs for the computer diagrams and animations for the scientific calculations (LentView is a post-process utility for analyzing and 3D visualizing (OpenGL) of MD simulation results). Development of tools for pre-processing; molecular crystal topology builder;
  • Design of the new solution method for the stiff systems of the chemical kinetics differential equations;
  • Theoretical researches of the critical phenomena at the exothermal chemical reaction in the gas and condensed materials.
Computer skills:
  • Windows, Linux, C\C++, Object Pascal (Delphi), FORTRAN, MathCad .
  • LAMMPS,GAUSSIAN,ABINIT codes ;
  • 3D, 2D Visualization: Open GL, Tee Chart (in Delphi);
  • Data Base programming: Fox Base Plus, Delphi.
Selected Publications:
  • Selezenev, A.A.; Aleynikov, A. Yu.; Gantchuk, N.S.; Yermakov, P.V.; Labanowski, J. K.
    SageMD: Molecular Dynamics Software Package to Study Properties of Materials with Different Models for Interatomic Interactions. Computational Materials Science, Volume 28, Issue 2, October 2003, Pages 107-124;
  • A.V.Golubev, A.Yu.Aleinikov, V.N.Golubev, M.M.Khabibulin, V.P. Kovalenko, I.I. Solomatin, S.E. Misatjuk, S.V.Mavrin, T.A. Kosheleva, Y.A.
    Belot, Studies of HTO washout and deposition in the vicinity of emission source ii: Model – experiment intercomparison. Fusion Science and Technology, Vol. 41, May 2002, page 474-477;
  • A. A. Selezenev, A.Yu. Aleinikov, and V.V. Yaroshenko
    The Effect of Radiolysis on the Shift of Explosion Limits of a Gaseous Hydrogen-Oxygen Mixture, Chem. Phys. Report, 1999, Vol. 18(5), p. 919-932.