Experience and Skills

Computer related techniques:

  • Experience in classical and quantum molecular modelling of liquid and solid systems with wide range of methods: Molecular Dynamics, Car-Parinello quantum Molecular Dynamics, Monte Carlo, QSAR, molecular docking, Hartree-Fock and Density Functional Theory electronic structure methods. Software usage summary: Cerius2, Materials Studio, Gaussian 94/98/03, Gromacs, CPMD, PW-SCF, HyperChem, MOPAC, GRAMM, Moldy

  • Software development in several programming languages: FORTRAN, BASIC, Visual BASIC, COBOL, SQL, C, Pascal

  • Operation, maintenance and assembling of the IBM PC class computers,  RISC workstations and peripheral devices. Management of network systems, technical support to various hardware/software products including  MS Windows family (9x, NT, 2000, XP), UNIX (Linux, SGI Irix, HP-UX) and Novell Netware.

  • Practical application of graphical, visualization and presentation software including Corel Graphics, Origin, POV-Ray, VMD, web page development (HTML, VRML).

Experience in laboratory techniques:
  • Instrumental methods of chemical analysis ;

  • Radiation chemistry techniques: pulse radiolysis, flash photolysis, g-cell irradiations;

  • Operation of the research laboratory equipment: VIS/UV spectrometer, Electron Spin Resonance spectrometer, optical microscope,   scanning electron microscope,  electron beam accelerator;

  • Limited experience with biological materials.