Group information

Information about the group

• scientific interests
• history of the group
• list of present and former members
• contact
• projects
• cooperation

Scientific interests
Basic research interests of the group concentrate on physical and chemical properties of atomic and molecular clusters, mainly the study of
• ion and neutral clusters of inert gases (interaction, geometric and electronic structure, interaction with electromagnetic radiation, dynamics, thermodynamic properties and phase transitions),
• water clusters (interaction, structure, thermodynamic properties and phase transitions).
As to the methods used, the group is active in the area of computer modelling (computational physics and chemistry). Naturally within the group during its development following directions of research activities were selected.

• structural calculations (global optimization of geometric structures, evolutionary algorithms),
• thermodynamic simulations (Monte Carlo methods),
• dynamic simulations (methods of non-adiabatic molecular dynamics),
• quantum computation and simulation (quantum Monte Carlo methods - MC diffusion, MC path-integral).

History of the group
The history of the group began towards the end of the twentieth century (approximately in 1999-2000). For obvious reasons there is no clear date. The establishment of a research team is always a long-term and gradual process. “Fathers-founders” of the group were two scientists from the Department of Physics, Faculty of Science at the University of Ostrava (D. Hrivňák and R. Kalus), and its godfathers were colleagues from two reputable physico-chemical institutions in the Czech Republic- Z. Herman and I. Paidarová from J. Heyrovsky Institute of Physical Chemistry in Prague and A. Malijevský from the Institute of Physical Chemistry, VŒCHT in Prague. Without their exceptional moral support the establishment of the group would not be possible. In 2004 I. Janeček from Department of Physics, Faculty of Science, and University of Ostrava joined the group and so the number of permanent members has grown to three members. Further personal development of the group was primarily thanks to the students studying at the department. Our respected colleagues (F. Karlický - 2004, A. Vítek - 2006, K. Oleksy - 2008) were first involved in the research as students who helped with the research and then as doctoral students and eventually became full-time Assistant Professors.

The list can be found here.


Since the very beginning the work of the group has been linked to intensive cooperation with foreign partners. F. X. Gadéa from the University of P. Sabatier in Toulouse, who can also be regarded as one of the godfathers of the group, occupies an exceptional position among them. His continuous support is accompanying the group throughout its existence. List of all foreign (but also domestic) groups of partners can be found here.


In addition to cooperation outside the University of Ostrava, the group has close partners at the University itself. The partners are: Biophysics Group, (Department of Physics at the Faculty of Science), Group of Physical Chemistry (Department of Chemistry at FS), and last but not least, some staff from the Centre of Information Technologies UO, we could not get by without their technical assistance.


The group needs first of all powerful computer resources and specialized software for its work. In this respect, significant milestones of the development are the years 2004 (the establishment of the Centre for Numerically Demanding Calculations at the University of Ostrava) and 2007 (foundation of the Laboratory for computer-based modelling in natural sciences). Both workplaces were established almost exclusively with the use of grant funds. The list of funds can be found here.

And there is another thing that is necessary for meaningful existence of a group – “new blood”, i.e. talented and enthusiastic students. Therefore since 2005 a new program has gradually been realized to set up a system of related study programs devoted to computer modelling in natural sciences. The new study programs will be strongly linked with research activities of the group from a bachelor degree. Currently Computer Modelling in Physics has already been accredited as a bachelor degree program. New field of study called Computer Modelling in Physics and Mechanics in cooperation with University in Le Mans within the program: European Master in Science and Technology has been accredited too.  The group also participates in securing Ph.D. studies in theoretical biophysics.

List of present members


Department of Physics, Faculty of Science, University of Ostrava

Doc. Ing. Ivan Janeček, CSc.

Mgr. Aleš Vítek

Bc. Lenka Ličmanová, student (Mgr.)

Bc. Jakub Malohlava, student (Mgr.)

Bc. Pavla Svrčková, student (Mgr.)

Bc. Lucie Zárubová, student (Mgr.)

Tomáš Janča, student (Bc.)

David Kramoliš, student (Bc.)

Pavel Naar, student (Bc.)

Jan Premus, Mendelovo gymnázium, Opava


Department of Applied Mathematics, Faculty of Electrical Engineering and Computer Science, VSB - Technical University of Ostrava

Doc. RNDr. René Kalus, Ph.D.


Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc

Mgr. František Karlický, Ph.D.


Janacek Conservatory and Gymnasium Ostrava

Mgr. Karel Oleksy


List of former members

Mgr. Daniel Hrivňák, Ph.D. (1999–2008)

Mgr. Petr Paška (1999–2003)

Mgr. Anna W. Voštenák (2002–2004)

Michal V. Jadavan (2003–2004)

Mgr. Silvie Cintavá (2006–2008)

Mgr. Barbora Paulíková (2006–2008)

Mgr. Pavla Pukowiecová (2007-2009)

Mgr. Jan Josiek, student (2008 - 2010)

Miroslav Rapčák  (2008 - 2010)

David Pěgřímek  (2008 - 2010)


When contacting the above addresses, please insert the subject keyword CPG




Research grant projects


Projects currently being solved


Realistic modeling and simulations of ionic rare-gas clusters and
the theory of resonances
(Barrande 2009-2010, responsible person R. Kalus)

Thermal aspects of adsorption on coal from water solutions
(Grant Agency of the Academy of Sciences of the CR 2008-2011,
responsible person B. Taraba)

Structure and thermodynamics of molecular clusters - phase transitions
in water clusters
(Grant Agency of the Academy of Sciences of the CR 2007-2011,
responsible person R. Kalus)

Full quantum dynamics of trimer dissociation and application on model system
(Mobility grant of Moravian-Silesian Region, responsible person F. Karlicky, 2010)

Prepared projects

Molecular clusters at non-zero pressures
(Czech Science Foundation, applicant R. Kalus, 2010-2012)


Finished projects


 Research Center of Biophysics and Chemical Physics
(R&D Support of the University of Ostrava 2008-2010, responsible person
V. Špunda)

Quantum dynamics of anharmonic vibrations in charged helium clusters (Mobility grant of Moravian-Silesian Region, responsible person F. Karlicky, 2009)

Global optimization of the water cluster structure by the evolutionary algorithms (Mobility grant of Moravian-Silesian Region, responsible person K. Oleksy, 2009)

Ground and rovibrational excited states of model atomic clusters
(Mobility grant of Moravian-Silesian Region, responsible person F. Karlicky, 2008) Quantum dynamics of model microsystems vibrations (Mobility grant of Moravian-Silesian Region, responsible person F. Karlicky, 2007)







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