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Curriculum Vitae
Personal Information
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Date of birth:
Place of birth:
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Mikhail Sergeevich Litsarev
January 06, 1983
Moscow Region
Russia
Russian (native), English (fluent), Swedish (beginner)
[email protected]
Education and Employment
2013 – until now Skolkovo Institute of Science and Technology, Scientific Computing Group,
Research Scientist.
2011 – 2013
Uppsala University, Materials Theory Division, Postdoctoral Researcher.
2010
Candidate of science (Ph.D.) Electron structure and characteristics of
atoms and ions in the multiconfiguration Hartree-Fock method (Superviser
E.G.Maksimov).
2006 – 2010
P.N.Lebedev Physics Institute of Russian Academy of Science (LPI).
2006
Diploma with honor in Solid State Physics (Superviser E.G. Maksimov).
2000 – 2006
Moscow Engineering Physics Institute (MEPhI).
Additional Education
2013
2013
2012
2011
2010
2007
The school of data analysis (Yandex).
Python programming and VTK for Visualization (Uppsala University).
Advanced Programming in Science and Technology (Lund Univeristy).
Message Passing with MPI (Lund Univeristy).
Networks Basics (Bauman Moscow State Technical University).
The SQL Language and Database Design (Moscow State University).
Software Development
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C++/Qt Developer, concern ”Systemprom”, 2007 – 2010, half-time position
Code DEPOSIT, Comp. Phys. Comm. 184, 432 (2013).
Code MCHF, Multiconfiguration Hartree-Fock Method.
Code SplineS, in preparation.
Research Interests and skills
Computational physics: ab initio calculations of atomic, molecular, and condensed matter
structure. Theory of ion-atomic and ion-molecular collisions. Charge-changing processes. Multiconfiguration Hartree-Fock method, Density functional theory. Low rank approximations,
matrix computations, optimization.
Advanced C++, design Patterns, STL, Boost, Qt, GTK, OpenMPI, SQL, Python, OpenGL,
Linux/Unix, Fortran, Cmake.
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Main Results
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The DEPOSIT computer code is developed. The code is intended to calculate total and
m-fold electron-loss cross sections (m is the number of ionized electrons) and the energy
T (b) deposited to the projectile (positive or negative ion) during a collision with a neutral
atom at low and intermediate collision energies as a function of the impact parameter b.
For cerium pnictides (CeN, CeP, CeAs, CeSb, CeBi) it is shown that correlation effects
(caused by d- and f -electrons) do not make significant influence on chemical bonding of
the pnictides. The calculations (the lattice parameters and density of states) are done by
using of RSPt computational package where the LDA/GGA+DMFT (local density approximation/generalized gradient approximation + dynamical mean field theory) approach is
implemented.
The code for optimization of lattice parameters integrated within the RSPt package is
developed. This code allows to find the most energy stable parameters for bulk solids and
molecular clusters. It is based on the wrapped multidimensional polyhedron method.
The code for the many-electron basis set construction in the Multiconfiguration HartreeFock method is implemented by means of the direct diagonalization approach. Using
the technique of the ladder orbital angular and spin momentum operators this approach
is generalized for the case of arbitrary electron configurations and is implemented as a
universal computational scheme.
Multiconfiguration Hartree-Fock equations are reduced to a system of matrix-vector equations within analytic basis set expansion of the radial parts of the one-electron spin-orbitals.
Rules of construction of the matrix-vector equations are formulated and a stable numerical
scheme for their solution is proposed.
Publications
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[2]
[3]
[4]
[5]
[6]
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I.Yu. Tolstikhina, M.S. Litsarev, D. Kato, M.-Y. Song J.-S. Yoon, and V.P. Shevelko.
Collisions of Be, Fe, Mo and W atoms and ions with hydrogen isotopes: electron capture
and electron loss cross sections. J. Phys. B: At. Mol. Opt. Phys. 47, 035206 (2014).
M.S. Litsarev, V.P. Shevelko. Multiple-electron losses of highly charged ions colliding
with neutral atoms. Proceedings of the 16th international conference Physics of Highly
Charged Ions 2012 in Phys. Scr. T 156, 014037 (2013).
M.S. Litsarev. The DEPOSIT computer code: calculations of electron-loss cross sections
for complex ions colliding with neutral atoms. Comp. Phys. Comm. 184, 432 (2013).
M.S. Litsarev, I. Di Marco, P. Thunstr¨om, O. Eriksson. Correlated electronic structure
and chemical bonding of cerium pnictides and γ-Ce. Phys. Rev. B 86, 115116 (2012).
V.P. Shevelko, M.S. Litsarev, Th. St¨ohlker, H. Tawara, I.Yu. Tolstikhina, and G. Weber.
Electron Loss and Capture Processes in Collisions of Heavy Many-Electron Ions with
Neutral Atoms. Chapter 6 in “Atomic Processes in Basic and Applied Physics”, Springer,
Berlin (2012).
V.P. Shevelko, I.L. Beigman, M.S. Litsarev, H. Tawara, I.Yu. Tolstikhina, G. Weber.
Charge-changing processes in collisions of heavy many-electron ions with neutral atoms.
Nucl. Instr. Meth. B 269, 1455 (2011).
V.P. Shevelko, D. Kato, M.S. Litsarev, H. Tawara. The energy-deposition model: electron loss of heavy ions in collisions with neutral atoms at low and intermediate energies.
J. Phys. B: At. Mol. Opt. Phys. 43, 215202 (2010).
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[8]
M.S. Litsarev, O.V.Ivanov. System of matrix-vector equations in the multiconfiguration
Hartree-Fock method. Bulletin of the Lebedev Physics Institute 37(9), 284 (2010).
[9] M.S. Litsarev, O.V. Ivanov. Multiconfiguration Hartree-Fock method: Direct diagonalization for the construction of a multielectron basis. Journal of Experimental and
Theoretical Physics 111(1), 22 (2010).
[10] M.-Y. Song, M.S. Litsarev, V.P. Shevelko, H. Tawara, J.-S. Yoon. Single- and multipleelectron loss cross-sections for fast heavy ions colliding with neutrals: Semi-classical calculations. Nucl. Instr. Meth. B 267, 2369 (2009).
[11] V.P. Shevelko, M.S. Litsarev, M.-Y. Song, H. Tawara, J.-S. Yoon. Electron loss of fast
many-electron ions colliding with neutral atoms: possible scaling rules for the total cross
sections. J. Phys. B: At. Mol. Opt. Phys. 42, 065202 (2009).
[12] V.P. Shevelko, M.S. Litsarev, H. Tawara. Multiple ionization of fast heavy ions by
neutral atoms in the energy deposition model. J. Phys. B: At. Mol. Opt. Phys. 41,
115204 (2008).
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