Dr. SERGEY GUSAROV

Research Council Officer at the National Institute for Nanotechnology

Phone: (780)641-1721
Sergey Gusarov

Dr. Gusarov is a physicist with strong experience in theoretical and computational methods of electronic structure calculations. The main focus of his research interests is the development and application of new computational methods of theoretical physics, including quantum mechanics, and quantum/theoretical chemistry for prediction and understanding the behavior of the systems on multiple length scales. Of special interest are methods for:

  • Electronic Structure Calculations of Complex Systems (multireference Density Functional Theory)
  • Molecular theory of Solvation (integral equation theory of molecular liquids)
  • Reactions at solid-liquid, liquid-liquid interfaces
  • Nanosupported catalysis
  • Nonlinear spectroscopy of the strongly interacting systems
  • Electronic properties of highly correlated systems

He also takes active part in development of modern computational chemistry software, working in the teams of developers of well known computational chemistry packages: MOLCAS (University of Lund, Sweden), ADF (University of Calgary, Canada) and AMBER (Scripps Research Institute, USA).

Employment:
  • Research Council Officer (tenure-track), Theory and Modeling Group, National Institute for Nanotechnology, National Research Council of Canada, 2006 – to date
  • NSERC Visiting Fellowship, Theory and Modeling Group, National Institute for Nanotechnology, National Research Council of Canada, 2004–2006
  • Postdoc, Project Assistant,Theoretical Chemistry Department, University of Lund, Sweden, 2002–2004
  • Fellow of the Swedish Institute, Theoretical Chemistry Department, University of Lund, Sweden, 2001–2002
  • Research Assistant, Institute of Physics, St. Petersburg State University, Russia, 1999–2001
  • Scientific Computer programmer, Institute of Physics, St. Petersburg State University, Russia, 1997–2000
Education:
  • Ph.D., Theoretical and Mathematical Physics, Department of Quantum Mechanics (Fock’s group), St. Petersburg State University, Russia, 1999
  • M.Sc. (with Honors), Theoretical and Mathematical Physics, Department of Quantum Mechanics , St. Petersburg State University, Russia, 1995
  • B.Sc., Molecular physics, Dep. Quantum Mechanics , St. Petersburg State University, Russia,, 1993
  • Diploma, TRIZ (Theory of Inventive Problem Solving), St. Petersburg International TRIZ University, 1998
Highlights:
  • Implementation and development of the multiscale combination of integral equation theory of molecular liquids (3D-RISM) with analytical gradients and quantum Kohn-Sham density functional theory (KS-DFT) in the Amsterdam Density Functional (ADF) software package
  • Actively participated in development of the variational Complete Active Space Density Functional Theory
  • Proposed (with Dr. A. Shtoff and Prof. Yu. Yu. Dmitriev) the combination of Floquet theory and Finite Field method for calculation the high order nonlinear susceptibilities of strongly interacting systems
  • Developer for computational software packages: MOLCAS, ADF, AMBER
  • European Summer School in Quantum Chemistry (ESQC-00), Riolo-Terme, Italy, 2000
  • Research Fellowship of Swedish Institute (analog NSERC in Swedens) held in University of Lund,Sweden, Department of Theoretical Chemistry, 2001–2002
  • Fellowship from the "Open Society" Institute (Soros Foundation), 1995/96; 1996/97; 1997/98
  • Grant from the St. Petersburg Government for young scientists, 1997/98
  • Diploma of the St-Petersburg Physics Olympiads, 1985–1986
Awards:
  • Fellowship Of Swedish Institute, Lund, Sweden, 1 year (2001/02)
  • Soros Stipend (1995/96, 1996/97, 1997/98)
  • Grant of Russian Foundation of Fundamental Research, St. Petersburg State University, Russia (1994/95/96)
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