Institute address: Ke Karlovu 3, 121 16 Prague 2, Czech Republic
1983 M.Sc.(Eng.) in Chemistry, the Institute of Chemical Technology,
Dep. Physical Chemistry, thesis:
"Quantum chemical calculations of the H-bonded cyclic dimers of small
organic acids. "
1989 M.Sc. in Physics, Charles University, Dep. Chemical Phycics, thesis:
"Differences between the decription of restricted and unrestricted
wave functions for dissociation HF and CH4 molecules."
1989 PhD. (CSc.) graduated at the Institute of Chemical Technology, Dep.
Physical Chemistry, thesis:
"Quantum chemical modeling of the growth of silica single-crystal. "
1999 espoused Habilitation at Faculty of Mathematics and Physics, thesis:
"Using of pseudopotentials in quantum-chemical calculations".
2008 defended DrSc thesis at the Comenius University in Bratislava:
" Quantum-Chemical Description of the Interactions of Metal Complexes in Biological Environment."
2011 defended professorship at the Charles University in Prague
1987-1994 research scientist, Institute of Macromolecular Chemistry,
of Sciences of the Czech Republic; Dep. of Heterogenous Polymerization.
Dealing with simulation of thermal degradation and stability of PVC chains
and oxidizability of small lactam rings.
1995-1997 research scientist, Institute of Physical Chemistry, Academy
Dep. Structure and Dynamics of Biomolecules and Clusters.
Dealing with interaction of metal cations with models of biomolecules
and Van der Waals interaction in rare gas and halogene groups.
1998-1999 Research scientist, Department of Chemical Physics, Faculty
of Mathematics and Physics,
Dealing with interaction of metal cations with biomolecules and their models.
2000-2012 Associated Professor (docent) at the Department of Chemical Physics, Faculty
of Mathematics and Physics,
2012- Professor at the Department of Chemical Physics, Faculty of Mathematics and Physics, Charles University.
1991: in Prof. Schleyer's group in Erlangen (2 weeks);
studied Sn interactions with PVC oligomers.
1993: in Prof. Wegner's group in Mainz (1 year);
studied Sheraga's DEM method for searching global minimum on
empirical potential surface; computing parameters for Mo and Se utilized in MD modeling.
1996: in Prof. Leszczynski's group in Jackson, MS (3 months)
studied interactions of hydrated metal cations with DNA base pairs.
1997: in Prof. Pyykko group in Helsinki, (2 months)
study on "Chemical bonds between noble metals and noble gases.
Ab initio study of the neutral diatomics NiXe, PdXe and PtXe."
1999/2000: in Bonacic-Koutecký group at Humboldt university in
Berlin (one year)
studied gold-silver small cluster behaviour using both static and dynamic approaches of quantum chemistry
2004: with Prof. M. Orozco and J.F. Lugue / University of Barcelona, Spain (one month)
investigating interaction of cisplatin complexes with glycine in polarizable continuum models.
Within PhD studies (1984 – 1987) :
Practical trainings from physical chemistry
NBCM035 General chemistry (since 1995)
NBCM121/122 Ab initio methods and Density Functional Theory (since 1996)
NBCM039 Quantum theory of molecules(since 2016)
Seminars for lectures:
NBCM110 Quantum Mechanics I (since 2004)
NOFY027 Introduction to Quantum Mechanics (2009)
NBCM039 Quantum theory of molecules(since 1998 - 2016)
NBCM100/125 Computational methods in Chemical Physics (since 2000)
NBCM099/116 Practical trainings on Experiments in computational chemistry (since 2002)
2000/01 Michal Zeizinger, Milan Šimánek,
2002/03 Josef Šeda, Matěj Pavelka,
2003/04 Jiří Mrázek, Tomáš Zimmermann,
2004/05 Zuzana Vokáčová,
2005/06 Luděk Michera, Ondřej Bradáč,
2006/07 Zdeněk Futera, Tomáš Kovaľ.
2012/13 Filip Šebesta.
2014/15 Petra Matunová ,
2014/15 Arnošt Mládek,
2016/17 Radim Cajzl.
Michal Zeizinger (2001) defended 2009,
Matěj Pavelka, (2003) defended in 2007,
Tomáš Zimmermann, (2004) defended in 2008,
Zdeněk Futera (2007), defended in 2012,
Filip Šebesta (2013), defended in 2017.