Department of Physical and Theoretical Chemistry

Web page of the department on the former web of the Faculty: staryweb.fns.uniba.sk/?kfz

Individual web page of the Department: http://www.qch.fns.uniba.sk/GroupPage/

Excellence Scholarship for Students of Theoretical and Computer Chemistry and Chemical Physics

We recommend into attention of the Students of the Department of Physical and Theoretical Chemistry the possibility to apply for the Excellence Scholarship. Further information may be found here.

Joint Seminar

Department of Physical and Theoretical Chemistry & Department of Inorganic Chemistry
are inviting you to a joint seminar

Electrode Procesees in the Light of Elimination Methods
Assoc. Prof. Libuše Trnková, Faculty of Science, Masaryk University (CZ)

that will take place on Friday, 17 February 2017, 10:00
in the Presentation Centre AMOS

A brief outline of the seminar (in Czech) may be downloaded here

Departmental Seminar

Department of Physical and Theoretical Chemistry
is inviting you to a departmental seminar

Participation in the EuroFusion project - agony, ecstasy and results for caesium.
Prof. RNDr. Ivan Černušák, DrSc.

that will take place on Wednesday, 8 February 2017, 9:30
in the Department Seminar Room CH1-303.

Research results of Dr. Pašteka in the focus

10. 1. 2017: Our Department's Dr. Lukáš Félix Pašteka, currently in a Post-Doctoral position at Massey University (NZ), and the results of his research shifted relativistic quantum chemistry of gold to a whole new level!

His results were published in the prestigious Journal Physical Review Letters, which could not escape the attention of media in the world, as well as in Slovakia. His discoveries are discussed at PHYS.ORG and SME Tech, where our colleague also gave a personal interview. Thank you, Lukáš, and we are very much looking forward to your return to the Department!

Topics of Bachelor's Degree Theses 2017/2018

The Department is announcing topics of Bachelor's Degree Theses for the academic year 2017/2018! The full definitions of the topics and submission to these topics will be available in the information system AIS. The list is still updated and may not be complete! In case of interest in further information, please do not hesiate to contact the supervisors of the topics.

  • Prof. Černušák: Intermolecular interactions - environmental aspects.
  • Prof. Urban: Computer simulations and properties of bio- and nanostructures.
  • Prof. Kellö: Role of relativistic effects on atomic and molecular properties.
  • Prof. Kellö: Properties of molecules in electronic excited states.
  • Assoc. Prof. Pitoňák: Accurate quantum-chemical investigation of noncovalent complexes.
  • Assoc. Prof. Bučko: Adsorption of dangerous iodine compounds in porous materials.
  • Assoc. Prof. Bučko: Computer simulations of important catalytic reactions.
  • Assoc. Prof. Bučko: Calculcations of physical properties of technologically interesting solids.
  • Assoc. Prof. Velič: Forensic analysis by mass spectrometry of secondary ions.
  • Assoc. Prof. Velič: Scanning miscroscopy of nanostructures and biological systems.
  • Assoc. Prof. Velič: UV/VIS/Fluoro/IR spectroscopy of photovoltaic cells.
  • Assoc. Prof. Valent: Reactions of free radicals with cysteine-derived drugs.
  • Assoc. Prof. Valent: Examination of uncatalyzed bromate oscillators with organic substrates.
  • Assoc. Prof. Valent: Development of electrochemical nanosenors.
  • Assoc. Prof. Bujdák: Principles and use of fluorescence anisotropy.
  • Assoc. Prof. Janek: Application of THz spectroscopy for characterisation of modified natural nanoparticles based on montmorillonite.
  • Assoc. Prof. Janek: Utilisation of THz spectroscopy for characterisation of gaseous, liquid and solid phases.
  • Dr. Szabo: Kinetics of classic autocatalytic reactions.
  • Dr. Szabo: Periodic phenomena in chemical systems.

Joint Seminar

Department of Physical and Theoretical Chemistry & Department of Inorganic Chemistry
are inviting you to a joint seminar

Halogen Bonds and Other Sigma-Hole Interactions
Dr. Michal H. Kolář, Max Planck Institute for Biophysical Chemistry (DE)

that will take place on Wednesday, 7 December 2016, 14:00
in the Presentation Centre CPS+

A brief outline of the seminar may be downloaded here

Joint Seminar

Department of Physical and Theoretical Chemistry & Department of Inorganic Chemistry
are inviting you to a joint seminar

Fine Tuning the Nonequilibrium Features of
Oppositely Charged Polyelectrolyte/Surfactant Mixtures

Prof. Róbert Mészáros, Eötvös Loránd University (HU), Ján Selye University (SK)

that will take place on Friday, 25 November 2016, 13:00
in the Presentation Centre CPS+

A brief outline of the seminar may be downloaded here

Joint Seminar

Department of Physical and Theoretical Chemistry & Department of Inorganic Chemistry
are inviting you to a joint seminar

Energetic diagrams and structural properties
of monohaloacetylenes HC≡CX (X = F, Cl, Br)

Dr. Dorra Khiri, Université Paris-Est Marne-la-Vallée, France

that will take place on Friday, 23 September 2016, 10:00
in the Seminars Room of the Department of Physical and Theoretical Chemistry (CH1-303)

A brief outline of the seminar may be downloaded here

Joint Seminar

Department of Physical and Theoretical Chemistry & Department of Inorganic Chemistry
are inviting you to a joint seminar

‘Heavy atoms’ calculations at the edge of accuracy:
from high-precision spectroscopy to tests of fundamental physics

Prof. Ephraim Eliav, Tel Aviv University, Israel

that will take place on Wednesday, 7 September 2016, 13:30
in the Seminar Room of the Department of Inorganic Chemistry (CH2-213)

Joint Seminar

International Laser Centre and Department of Physical and Theoretical Chemistry
are inviting you to a joint seminar

Beautiful boranes: A route to the first borane laser
Dr. Michael G. S. Londesborough, The Czech Academy of Sciences
Dr. Luis Cerdán, CSIC Madrid, Spain

that will take place on Monday, 9 May 2016 at 14:00 in the Presentation centre AMOS of FNS CU

A brief outline of the seminar may be downloaded here

Mini-Erasmus Summer Term 2016

5. 4. 2016: As we do every term, the Department of Physical and Theoretical Chemistry participated, again, in the programme of Future Generation Europe Mini-Erasmus. Selected high-school students from all over Slovakia, who decided to try the lives of university students for one week, visited our labs, where we prepared our favorite experiments from the practical courses of Physical Chemistry and Laboratory Techniques. After lunch, they looked behind the curtains of computations in Theoretical and Computer Chemistry. We hope that this is not the last time we see our Mini-Erasmus students and we shall meet again soon!

Joint Seminar

Department of Physical and Theoretical Chemistry & Department of Inorganic Chemistry are inviting you to a joint seminar

Modern DFT and TD-DFT approaches applied to real life
Dr. Luciano Carta, University of Napoli – Federico II, Italy

that will take place on Monday, 22 February 2016, 13:10 in the Library of the Department of Inorganic Chemistry (CH2-213)

A brief outline of the seminar may be downloaded here