Curriculum Vitae
Sergey Polyutov
Department of Theoretical Chemistry, AlbaNova University Center,
Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden
Phone (cell): +46 8 (0)73 782 5267; +46 8 (0)73 512 8055
sergey@theochem.kth.se
Education
2004 - present
Degree:
PhD
University:
Royal Institute of Technology, Theoretical Chemistry Department, Stockholm, Sweden
Thesis title:
“Electron-nuclear Dynamics in Nonlinear optics and X-ray Spectroscopy”
Expected graduation date: 04 May 2007
2004 - 2006
Degree:
Licentiate of Technology degree
Thesis title:
“Nuclear Dynamics in Nonlinear optics and X-ray Spectroscopy”
University:
Royal Institute of Technology, Theoretical Chemistry Department, Stockholm, Sweden
1990 - 1995
Degree:
Thesis title:
University:
Master of Science degree in physics; major in: Optics and Spectroscopy
"Investigation of spatial structure of rectified forces acting on resonance atoms in
interfering light fields".
Krasnoyarsk State University, Faculty of Physics, Krasnoyarsk, Russia
Research Interests:
X-ray Physics;
Optics and Photonics;
Spectroscopy;
Atomic Optics;
Mathematical modeling;
Quantum chemistry.
Research topics of current interest:
Computational modeling of various physical effects.
X-ray Raman and Auger scattering.
Light propagation in non-linear media. Multi-photon processes dynamics. Photobleaching.
Theory of the mechanical action of light on atoms.
Laser cooling and trapping of atoms. Kinetics of particles in resonant light fields.
Skills and Background
Background: Strong background in mathematics, theoretical and computational physics, 2 years
experience with computational quantum chemistry. In particular, I posses experience in:
➢ Investigation of effects of light propagation through nonlinear media with
➢ theoretical exploration of multi-photon processes dynamics and photobleaching using the density
matrix formalism
➢ Investigation of optical and X-ray absorption and scattering spectra taking into account multi-mode
vibrational degrees of freedom using the Franck-Condon approach
➢ Theoretical and computational investigation of particle kinetics in the field of light forces with the help
of numerical methods based on solving of time and space-dependent partial differential equations
➢ Electronic structure calculations – HF, DFT, MCSCF methods in a variety of quantum chemical
software packages
Computer skills: Proficient in using Windows, Linux/UNIX, various scientific software and
programming languages – Matlab, Fortran, Maple, working knowledge of quantum chemical programs Gaussian, Dalton, DeMon.
Analytical thinking: Demonstrated through about eight years of professional scientific activities that
have resulted in more than 20 publications.
Fast learner: Completed two research field changes in a matter of 4-8 weeks.
Team player, Communication: Worked effectively with a number of colleagues on multiple scientific
projects. Exhibited by successful sharing of ideas with a broad audience using written publications and
oral presentations.Research Experience
2004 – present
PhD student at the Royal Institute of Technology (Stockholm, Sweden), Theoretical Chemistry
Department; Supervisors: Prof. Faris Gel'mukhanov and Prof. Hans Ågren
The scientific activity is focused on the theoretical analysis of pulse propagation, multi-photon
processes dynamics and numerical investigations of X-ray Raman and Auger scattering.
➢ I have investigated the amplified spontaneous emission (ASE) process in organic chromophores
recently studied in a lot of experiments.
➢ I have explored the role of off-resonant two-step two-photon absorption.
➢ I participated in development of theory of photobleaching in pyrylium salt and in corresponding
analysis of theoretical and numerical results.
➢ I carried out the simulations connected with non-adiabatic effects in resonant x-ray Raman scattering of
ethylene and resonant Auger scattering from acetylene molecules.
➢ I have written the package of codes for simulation of x-ray absorption spectra (XAS) and resonant xray scattering (RXS) processes making use of the multi-mode Franck-Condon approach and taking into
account vibrational degrees of freedom.
All of these research projects are mainly devoted to theoretical studies of the role of nuclear vibrations
on nonlinear and linear absorption, pulse propagation of the multi-mode field through a nonlinear manylevel medium, and resonant light scattering.
As a general approach for solving the problems of pulse propagation and two-photon absorption the
density matrix formalism, together with the paraxial wave equation, was utilized. To solve timedependent rate and wave equations I carried out the corresponding numerical simulations.
In order to calculate the spectra of many-photon absorption and x-ray scattering the multi-mode
Franck-Condon approach was implemented to the studied cases.
For finding the 'properties' (such as energies and potential energy surfaces of excited states, transition
dipole moments, molecular geometries, etc.) of the studied large organic molecules I used ab-initio
quantum chemical methods which are implemented into GAUSSIAN, DALTON and DeMon suite of
programs.
During my PhD study I have acquired skills in the field of quantum chemistry and corresponding
experience with quantum chemistry calculations.
Following are the more important results that have been obtained throughout my PhD studies:
 To explain the threshold behavior of the Amplified Spontaneous Emission (ASE) spectra observed in
the experiments we invoke the idea of competition between different ASE channels and non-radiative
quenching of the lasing levels.
 We show that the ASE spectrum changes drastically when the pump intensity approaches the threshold
level, namely, when the ASE rate approaches the rate of vibrational relaxation or the rate of solutesolvent relaxation in the first excited state.
 According to our simulations, the ASE intensity experiences oscillations. Temporal self-pulsations of
forward and backward propagating ASE pulses occur due to two reasons: i) interaction of co- and
counter-propagating ASE, and ii) competition between the amplified spontaneous emission and offresonant absorption. Temporal self-pulsations can be non-dumping for some cases.
 The theory applied to the N101 molecule [p-nitro-p'-diphenylamine stilbene] shows that the two-step
absorption is red-shifted relative to the one-photon absorption spectrum, in agreement with the
measurements.
 The reason for this effect is one-photon absorption from the first excited state. Simulations show that
two mechanisms are responsible for the population of this state – two-photon absorption and offresonant one-photon absorption by the wing of the spectral line.
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We develop a dynamical theory of multi-photon
induced fluorescence accompanied by
photobleaching. Our model includes a manifold of singlet and triplet states.
It is found that the sequence of periodical short pulses, strongly enhances the photobleaching from the
lowest and excited triplet states.
Our theory displays a double-exponential dynamics of both photobleaching and laser-induced
fluorescence with two characteristic times; the equilibrium settling time between singlet and lowest
triplet states and the duration of photobleaching. The second reason for a double-exponential
photobleaching is the spatial inhomogeneity of the laser beam.
Our studies show that the vibronic coupling of close lying core-excited states strongly affects the
resonant x-ray Raman scattering from ethylene.
We demonstrate that the manifestation of the non-adiabatic effects depends strongly on the detuning of
photon energy from the top of photoabsorption.
The electronic selection rules are shown to break down when the excitation energy is tuned in
resonance with the symmetry breaking vibrational mode. The selection rules are then restored for large
detunings. We obtained good agreement with experiment. detunings.
1998 – 2000
Research training at Kirensky Institute for Physics SB RAS (Krasnoyarsk, Russia), Department of
Coherent and Quantum Optics; Supervisor: Prof. I.V. Krasnov
2000 – 2003
Research assistant at Institute of Computational Modeling SB RAS (Krasnoyarsk, Russia), Laboratory
of mathematical problems of laser physics. Supervisor: Prof. I.V. Krasnov
The scientific activity was focused on
➢ analytical and numerical investigations of the effects of mechanical action of light on atoms and in
particular on investigation of “rectified radiative forces” (RRF) acting on resonance atoms in
bichromatic interfering light fields;
➢ applications of RRFs for the particles trapping and cooling;
➢ exploring the kinetics of particles under RRF's action.
As a global tool for theoretical investigation of mechanical action of light on atoms and for study the
kinetics of particles in a light field, the density matrix formalism in the Wigner representation and
corresponding the kinetic equations have been used. My interests included applying this formalism to
investigation of RRF in the bichromatic laser field and investigating the kinetics of atoms under action of
this force.
Both due to interference effects in bichromatic fields and due to dependence of the main equations on
time and space coordinates, even the finding of an analytical expression for the light force is not an easy
task. Nevertheless, for some special cases it was possible to find the explicit analytical expressions.
While investigating atomic kinetics in the field of RRF, I used numerical solutions of Newton's
equations for particles moving in a nonlinear space-dependent force field (when the expression for RRF
has analytical form).
But for some special cases it was necessary to solve time- and space-dependent density matrix and
kinetic equations using numerical simulations. The implicit finite-difference schemes as well as the socalled “method of lines” were utilized for numerically solving these equations in such cases.
I have acquired skills in numerically solving both ordinary nonlinear differential equations and partial
differential equations using Matlab and Fortran programs.
The following more important scientific results were obtained during this time:
 Explicit analytical expressions were derived for the RRF related to the action of a weak (~1 W/cm 2)
interfering optical field of an arbitrary three-dimensional (3D) configuration upon resonance particles
featuring the J = 0 --> J = 1 quantum transition (atoms like Yb isotopes).
 It was shown that there are simple 3D biharmonic field configurations for which the ratio of the vortex
and potential force components can be controlled by adjusting the frequencies and polarizations of the
interfering light waves. This gives completely different types of both vortex and potential light-induced
particle motions.
 Some specific features of atomic kinetics induced by RRF were scrutinized.
 A deep stable localization of atoms in the cells of an effective light superlattice (with a spacing much
larger than the light wavelength) can be achieved by controlling the phase shifts of the temporal
oscillations in orthogonally polarized RRF's field components (and by choosing the field parameters).
The so-called “optical membrane” effect based on RRF was considered. The model which can be
applied to extract (separation) resonant particles out of a foreign (buffer) gas flow have been
built.List of Publications:
Monograph (book chapter):
1. A. Baev, S. Polyutov, I. Minkov, F. Gel'mukhanov, H. Ågren
”Nonlinear pulse propagation in many-photon active media”, in “Nonlinear optical properties of
matter: From molecules to condensed phase”, Springer (2006)
Peer reviewed journals:
2. Gavriluk A.P., Krasnov I.V., Polyutov S.P., Shaparev N.Ya.
Resonance laser actions is an effective method of control of the gas and plasma substance
Russian Physics Journal, v.42, p.744 (1999)
3. Gavriluk A.P., Krasnov I.V., Polyutov S.P., Shaparev N.Ya.
The optical membrane in a gas flow
Computational Technologies, v.4, N7 (1999)
4. Gavriluk S.A., Krasnov I.V., Polyutov S.P.
Three-Dimensional Interference effects in the mechanical action of weak biharmonic fields upon
particles with the J=0-J=1 quantum transition
JETP, 93, p.985 (2001)
5. Krasnov I.V. and Polyutov S.P.
Confinement of atoms with nondegenerate ground states in a three-dimensional dissipative optical
superlattice,
JETP Letters, 76, p.270 (2002)
6. Krasnov I.V. and Polyutov S.P.
Specific features of the kinetics of atoms in a three-dimension bichromatic standing wave
Russian Physics Journal. v47, № 4, p.461 (2004)
7. A. Kikas, T. Kaambre, A. Saar, K. Kooser, E. Nõmmiste, I. Martinson, V. Kimberg, S. Polyutov, and
F. Gel'mukhanov
Resonant inelastic x-ray scattering at the F 1s photoabsorption edge in LiF: Interplay of excitonic
and conduction states, and Stokes' doubling
Physical Review B, 70, 085102 (2004)
8. A. Baev, V. Kimberg, S. Polyutov, F. Gel'mukhanov, and H. Ågren
Bi-directional description of amplified spontaneous emission induced by three-photon absorption
J. of Opt. Soc. of Am. B 22, 385-393 (2005)
9. S. Polyutov, I. Minkov, F. Gel'mukhanov, H. Ågren
Interplay of one- and two-step channels in electro-vibrational two-photon absorption
J. Phys. Chem. A 109, 9507 (2005)
10.
F. Hennies, S. Polyutov, I. Minkov, A. Pietzsch, M. Nagasono, F. Gel'mukhanov, L. Triguero,
M.-N. Piancastelli, W. Wurth, H. Ågren, A. Fohlisch,
Non-Adiabatic Effects in Resonant Inelastic X-ray Scattering
Phys. Rev. Lett. 95, 163002 (2005)
11.
S. Polyutov, V. Kimberg, A. Baev, F. Gel'mukhanov, H. Ågren
Self-sustained pulsation of amplified spontaneous emission of molecules in solution
J. Phys. B: At. Mol. Opt. Phys. 39, p. 215 (2006)
12.
V. Kimberg, S. Polyutov, F. Gel'mukhanov, H. Ågren, A. Baev, Q. Zheng, G. He
Dynamics of cavityless lasing generated by ultra-fast multi-photon excitation
Phys. Rev. A, 74, 033814 (2006)
13.
S. Polyutov, I. Minkov, F. Guimaraes, K. Ueda, F. Gel'mukhanov
Multimode nuclear dynamics in resonant Auger scattering from acetylene
(manuscript) (2007)
14.
F. Hennies, S. Polyutov, I. Minkov, A. Pietzsch, M. Nagasono, F. Gel'mukhanov, L. Triguero,
M.-N. Piancastelli, W. Wurth, H. Ågren, A. Föhlisch
Dynamic Interpretation of Resonant Inelastic X-ray Scattering: Ethylene and Benzene
(submitted) (2007)
15.
S. Gavrilyuk, S. Polyutov, P. Chandra, H. Ågren and F. Gel'mukhanov
Many-photon dynamics of photobleaching
(manuscript) (2007)
International Conference Proceedings:
16.
Gavriluk A.P., Krasnov I.V., Polyutov S.P.
Light-induced Knudsen effect
Proceedings of the Third Russian-Chinese Symposium on Laser Physics and Laser Technology,
Krasnoyarsk, p.82 (1996)
17.
Gavrilyuk A.P., Krasnov I.V., Polyutov S.P., Shaparev N.Y.
Spatial grouping and separation of particles by rectified radiation forces
Proceedings of the 4-th Sino-Russian-Korean Symposium on Laser Physics and Laser Technology,
Harbin, China, p.1 (1998)
18.
Polyutov S.P.
The Optical Membrane Effect and it use for Accumulation of Neutral and Charged Particles
Proceeding of the 5-th Russian-Chinese Symposium on Laser Physics and Laser Technology, Tomsk,
p.113 (2000)
19.
Gavrilyuk S.A., Krasnov I.V., Polyutov S.P., Shaparev N.Ya.
About a Possibility of Ultracold Plasma Optical Confinement in weak Bichromatic Laser Fields
Proceeding of the 5-th Russian-Chinese Symposium on Laser Physics and Laser Technology, Tomsk,
p.56 (2000)
20.
I.V.Krasnov & S.P.Polyutov
All-Optical Atom Trap for Ytterbium and Alkaline-Earth Isotopes
The Proceedings of the International Symposium on Laser Physics and Laser Technology, Harbin,
China, p.32 (2002)
21.
S. Polyutov, I. Minkov, F. Gel'mukhanov, K. Kamada, A. Baev, and H. Ågren
Spectral profiles of two-photon absorption: Coherent versus two-step two-photon absorption
Mater. Res. Soc. Symp. Proc. v.846, Boston, Warrendale, PA , DD1.2, (2005)
About the ten “minor” papers, proceedings and thesis of conferences.Participation in
conferences
1.
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7.
8.
April, 1998, Institute of computational modeling young scientists’ conference, Krasnoyarsk, Russia.
Oral presentation "The atoms spatial grouping by rectified radiative forces".
December 20-25, 1998, 4-th Russian-Chinese-Korean Symposium on Laser Physics and Laser
Technology, Harbin, China. Poster "Spatial grouping and separation of particles by rectified
radiation forces".
October 23-28, 2000, 5-th Russian-Chinese symposium on laser physics and technologies, Tomsk,
Russia, Oral presentations "About a possibility of ultracold plasma optical confinement in weak
bichromatic laser fields" and "The optical membrane effect and it use for accumulation of neutral
and charged particles".
May, 2001, The Krasnoyarsk scientific center young scientists’ conference, Krasnoyarsk, Russia.
Oral presentation "Mechanical action of biharmonic light and overcoming of the optical Earnshaw
theorem restrictions".
August 18-24, 2002, International symposium on laser physics and technologies, Harbin, China,
Poster "All-Optical Atom Trap for Ytterbium and Alkaline-Earth Isotopes".
June 21 - 24, 2004, Biophotonics 2004, Stockholm, Sweden.
May 4-5, 2006, Svensk Teoretisk Kemi conference, Stockholm, Sweden.
February 2, 2007, Meeting on Non-linear Optical Multifunctional Materials
Awards, Honors and Grants
Participation in Grants
Russian Foundation for Basic Research
Grant N99-02-16873a "Laser cooling and localization of resonance ions in plasma", 2000-2001;
Grant 01-02-06478-mas (personal grant for young scientists), 2001
Krasnoyarsk Regional Science Foundation:
Grant 8F0058 "Laser cooling and Wigner crystallization of rarefied plasma", 1998.
Grant 11F0036 "Effect of Rectifying the Radiative force and three dimensional interference effects in
mechanical action of bichromatic fields on atoms", 2002-2003.
VR (The Swedish Research Council)
“Ultrafast X-ray spectroscopy with applications in molecular and material science”, 2006
Conference awards
1) Diploma and cash award for a high scientific level and for an excellent presentation of results at 5-th
Russian-Chinese symposium on laser physics and technologies, Tomsk, Russia, 2000.
2) Gold diploma and award for the best scientific results at a competition among young scientists of the
Institute of Computational Modeling, Krasnoyarsk, Russia, 2001.
3) Silver Diploma for excellent scientific results at a competition among young scientists of the
Krasnoyarsk scientific center, Russia, 2001.
4) The paper: S. Polyutov et al. ”Spectral profiles of two-photon absorption: Coherent versus two-step
two-photon absorption” Mater. Res. Soc. Symp. Proc. v.846, Warrendale, PA , 2005, DD1.2 (Boston), is
the Blue Ribbon Award winner of 2004 Materials Research Society Fall Meeting.
Volunteer experience
Computer administrator (Windows OS) in the Laboratory of mathematical problems of laser physics, the
Institute of Computational Modeling SB RAS (Krasnoyarsk, Russia) from 2000 till 2003.