Head of Department: Telephone: ++421252963420
Assoc. Prof. Viliam Laurinc, PhD. Fax: ++421252493198
E-mail: viliam.laurinc@stuba.sk
I. STAFF
Full Professors:
Fedor Valach, PhD., DSc.
Associate Professors:
Pavol Fedorko, PhD.; Oľga Holá, PhD.; Viliam Laurinc, PhD.; Vladimír Lukeš, PhD.
Assistant Professors :
Július Annus; Ladislav Bušovský; Ľubomír Tancer (till 31.8.2006); Miroslav Tokarčík, PhD.; Daniela Žilinská;
Michal Ilčin (since 1.9.2006) Research Fellows:
Tibor Pálszegi, PhD.
PhD Students:
Michal Ilčin; Katarína Olejníková, Roland Šolc (since 1.10.2006) Technical staff:
Anton Adamko; Zdenka Halaburková (till 31.7.2006)
II. TEACHING AND RESEARCH LABORATORIES
A. Teaching laboratories:
Laboratory of Physics I.
Laboratory of Physics II.
B. Research laboratories:
Laboratory of X-ray Diffraction
Laboratory of Electrical Properties of Conducting Polymers
Laboratory of Gamma Radiation SourceLaboratory of Computational Chemical Physics
III. TEACHING
A. Undergraduate Study:
1. semester (Bc) Seminar in Basic Physics 0/2/0 Bušovský, Bučinský, Gál, Gróf, Ilčin, Tokarčík 1. semester (Bc) Physics I 2/2/0 Bušovský, Fedorko, Holá, Laurinc, Lukeš, Tokarčík,
Valach, Žilinská
Physics Laboratory I. 0/0/2 Annus, Olejníková, Pálszegi
2. semester(Bc) Physics II. 2/2/0 Bušovský, Holá, Fedorko, Laurinc, Lukeš, Tokarčík, Žilinská, Valach
Physics Laboratory II. 0/0/2 Annus, Pálszegi, Olejníková 6. semester (Bc) Semestral project 0/0/4 Lukeš, Ilčin
5. semester (Bc) Modelling of the Molecular
Properties 2/2/0 Laurinc, Lukeš
2. semester (MSc) Statistical
Thermodynamics 2/1/0 Laurinc, Lukeš
B. PhD Study:
Biophysics I 2/0/0 Valach
IV. CURRENT RESEARCH PROJECTS
A. VEGA Project No 1/3572/06 Molecular modelling of the structural fragments containing the transition element atoms in the crystal structures of metalloproteins (Fedor Valach)
Methods development for the structure solution of fragments involved in the crystal structures of metalloproteins.
Molecular modelling of the structural fragments and quantification of their basicity properties. Structural correlations determination of hydrogen bonds and their structural interpretation for the crystal structures of organic, organometallic and coordination compounds. Prediction of valence-bond structure of anionic fragments in the crystals of proteins. Determination and interpretation of the correlations between the metal-ligand bond lengths in the structures of metalloproteins. The criteria development for reliability testing of the protein crystal structures solved from the X-ray and synchrotron diffraction data.
Project duration: from 01.01.2006 to 31.12.2008
B. VEGA Project No 1/3036/06 Research of elektro-optical properties of novel organic materials as precursors with potential application in electronic and nanotechnology (Vladimír Lukeš)
Quantum-chemical study (at the ab initio, DFT and semiempirical levels) of the electronic structure and properties of benzenoid and heterocyclic compounds of furane, thiophene, pyrrole, imidazole and pyrazine derivatives with potential electro- and photoactive properties will be performed. The basic relations between structure (e.g.
conformations, effective conjugation length, effect of substitutents), microscopic quantities (dipole moments, polarizabilities, hyperpolarizabilies, HOMO-LUMO separation) and absorption and luminescence spectral characteristics will be investigated. A selection of new molecules which are perspective candidates for electro-optical applications and nano-technique will be proposed on the basis of this research.
Project duration: from 01.01.2006 to 31.12.2008
C. VEGA Project No 1/2021/05 Physical properties of conducting polymers, conducting polymer nanocomposites and new conjugated systems (Pavol Fedorko)
The project deals with two representatives of the conducting polymers, doped polyaniline and doped substituted polythiophene gels, in which the effect of the structural disorder on the electrical properties is studied. In doped polyaniline, disorder is created by thermal and irradiation aging of the material and by adding plasticizers. This also gives information useful from the application point of view. In the frame of this part of the project, the metallic character of the conductivity of doped polyaniline is investigated more in detail. In substituted polythiophene gels, the conformational state of the polymer network and thus the degree of the structural disorder is varied by swelling in solvents and the dependence of the conductivity of the gel on its swelling ratio is studied. Preparation and properties of conducting polymer nanocomposites as materials enlarging the application potential of the conducting conjugated systems are also studied, using polypyrrole covered nanoparticles and carbon nanotubes as conducting fillers. Theoretical modeling and design of new aromatic and heteroaromatic conjugated systems with properties interesting from the point of view of applications in molecular electronics are also part of the project.
Project duration: from 01.01.2005 to 31.12.2007
D. VEGA Project No 1/1376/04 Nonlinear optical spectroscopy of molecules and systems with energy transfer (Tibor Palszegi)
The influence of the intermolecular electronic and vibrational coupling on the energy transfer between the electronic states of molecules and molecular systems is studied by theoretical methods of nonlinear optical spectroscopy (photon-echo, pump-probe, time-dependent fluorescence). The nonlinear optical signals are analysed to get information on the electronic coupling, vibrational coherence and inhomogeneous with of spectral lines. The 2D signal analysis is applied also for the identification of molecular conformations.
Project duration: from 1.1.2004 to 31.12.2006
E. APVT Project No 20-005004 Study of stabilisers in polymer matrices – relation between their structure and stabilising effects (Vladimír Lukeš)
Project is oriented on finding suitable (environment-friendly and non-toxic) antioxidants and their concentration relations which are necessary for effective stabilization of polymers (e.g. polyisoprene, PVC, polyurethane, etc.).
The stability of polymers with selected additives is experimentaly investigated (DSC, spectral measurements).
The materials suitable for application in medicine and food industry are subjected to the gamma irradiation and the irradiation effect is investigated. As a part of our research, the dependence between effect and structure of used antioxidants is also studied.
Project duration: from 01.01.2005 to 31.12.2007
F. APVT Project No 20-029804 Functional supramolecular surface nanostructure based on cyclodextrins (Tibor Palszegi)
Project proposes an integration of theoretical and experimental research results with a focus on a functional surface nanostructure. Our proposal on the nanostructured surface is based on three main components, first a practical solid surface is a base, second an attachment film is prepared from chemically modified cyclodextrin molecules to form supramolecular complexes with guest molecules, and third two kinds of functional molecules are selected which provide a functionality as chemical sensor and magnetic memory unit.
Project duration: from 01.06.2005 to 31.05.2007
G. APVV Project No SK-AT-005006 (Bilaterálny projekt, rakúsko-slovenská spolupráca) Theoretical study of photo-physical properties of small five- and six-membered aromatic moleculs using TD-DFT and CEO methods (Vladimír Lukeš)
Quantum-chemical study of cyano- substituted paradiaminophenylene and heterocyclic compounds of thiophene and pyrrole derivatives with potential electro- and photoactive properties will be performed. The vertical
excitations based on the RI-CC2, TD-DFT, CIS-ZINDO/S and CEO-ZINDO/S will be calculated. The theoretical and the available experimental data will be compared and will be analysed in terms of MO theory and compared with CEO modes.
Project duration: from 1.1. 2006 to 31.12. 2007
V. CURRENT EDUCATION PROJECTS
A. KEGA Project No 3/3062/05 Multimedia study programme for subject: Ionizing radiation and radiation protection (Oľga Holá)
Creation of a modern internet textbook in ionizing radiation and radiation protection. The output of project - the multimedia textbook - will be available to all students at our university´s servers and other users will have CDs at their disposal. It is proposed to use this multimedia didactic means also in various forms of the distance e-learning. The distance e-learning form of education can solve also the problem with the acquisition of the professional qualifications for the work with ionizing radiation. This is the reason for usage of the mentioned textbook not only as the fundamental and unified textbook for the students of universities, but also as the study material for the civil servants responsible for radiation protection, for in-service workers and providers of the professional training.
Project duration: from 01.01.2005 to 31.12.2007
B. Developing project of Ministry of Education of SR: Application of multimedia into teaching-learning process of physics (Oľga Holá)
Verifíication of asynchronous communication between teachers and students by LMS Moodle. Preparation of study materials and their transformation into Moodle modul, training of teachers, organisation of pilot course.
Creation of new multimedia didactic tools for the basic course of physics and application of multimedia tools in pedagogical practise.
Project duration: from 1.4.2006 to 30.4.2007
VI. COOPERATION
A. Cooperation in Slovakia
Institution Type of cooperation Responsible person Duration Faculty of Electrical Engineering and
Information Technology, SUT Bratislava e-learning Assoc.prof. P.Ballo,
PhD
2000-Faculty of Mathematics and Physics,
Commenius University, Bratislava Monitoring of Rn in
atmosphere, water and soil Assoc.prof. K. Holý,
PhD
1990-Faculty of Civil Engineering, SUT Bratislava Didactic methods Assoc.prof.
J.Lukovičová, PhD 2000-Institute of Polymers, Slovak Academy of
Sciences, Bratislava
Optical measurements of
polymers Prof. P.Hrdlovič, DSc
2000-Faculty of Natural Science, Commenius University, Bratislava
Simulations of linear and
nonlinear optical signals Dr. V.Szöcs, PhD 2000-Faculty of Mathematics and Physics,
Commenius University, Bratislava e-learning Mgr. K.Holá
2003-B. International Cooperation
Institution Type of cooperation Responsible
person Duration Institut für Organische Chemie, J.W.Goethe
Universität, Frankfurt/M., Germany X-ray crystallographic research Prof. E.Egert 1988-Institute of Molecular Genetics, Academy of
Sciences, Prague, Czech Republic Protein synthesis Ing. J.Sedláček 2003-Institut für Physikalische Chemie, Universität
Wien, Vienna, Austria
Electronic excitation transport in polymers
Prof.
H.F.Kauffmann 1997-Institute of Chemistry, University of Wroclaw,
Wroclaw, Poland X-ray crystallographic research Prof. Dr.
J.Mrozinski 1989-Laboratorie de Cristallographie, Université de
Genéve, Switzerland X-ray crystallographic research Prof. A.F.Williams 2001-Chemical Crystallography Laboratory, Oxford
University, Oxford, UK
X-ray crystallographic research at low temperatures, crystallographic statistics
Prof. C.K.Prout 1999-Commissariat a l'Energie Atomique, Grenoble,
France Conducting polymers Dr. J.P.Travers
1999-Max-Planck Institut für Festkörperphysik,
Stuttgart, Germany Carbon nanotubes Dr. S.Roth
2000-Institute of Physical and Theoretical
Chemistry, TU Graz, Austria Spectral properties of organic
molecules Dr. A.M. Kelterer
2005-Mangalore University, Department of
Chemistry, India X-ray crystallographic research Prof. B.T. Gowda 2006-Universität Wien, Austria Quantum mechanical calculations Prof. H. Lischka
2006-C. Membership in Domestic Organizations and Societies
Name Organisation or Society Position Valid date
Holá Oľga Union of Slovak Mathematicians and Physicists, Bratislava member 1970 Laurinc Viliam Union of Slovak Mathematicians and Physicists, Bratislava member 1975 Bušovský Ladislav Union of Slovak Mathematicians and Physicists, Bratislava member 1975 Fedorko Pavol Union of Slovak Mathematicians and Physicists, Bratislava member 1977
Holá Oľga Slovak Physical Society, Bratislava member 1993
Laurinc Viliam Slovak Physical Society, Bratislava member 1993
Valach Fedor Slovak Physical Society, Bratislava member 1993
Bušovský Ladislav Slovak Physical Society, Bratislava member 1993
Fedorko Pavol Slovak Physical Society, Bratislava member 1993
Valach Fedor Slovak Chemical Society, Bratislava member 1970
D. Membership in International Organisations and Societies
Name Organisation or Society Position Valid date
Valach Fedor Int. Society for Theoretical Chemical Physics, Erlangen, Germany member 1990 Laurinc Viliam Int. Society for Theoretical Chemical Physics, Erlangen, Germany member 1990
Fedorko Pavol European Physical Society member 1994
Valach Fedor European Physical Society member 1994
Holá Oľga European Physical Society member 1994
E. Visitors from abroad
Name Organisation or Institution State Date / Duration
Hofman O. Technische Universität Graz Austria July 2006
(4 days)
Hofman O. Technische Universität Graz Austria Aug. 2006
(15 days)
Kelterer A.-M. Technische Universität Graz Austria July. 2006
(4 days)
F. Visits of Staff Members and Postgraduate Students in Foreign Institutions
Name Organisation / Institution / Conference State Date / Duration
Valach F.
XVth Winter School on Coordination Chemistry, Karpacz &
Faculty of Chemistry, University of Wroclaw (Prof. J.
Mrozinski)
Poland Dec. 2006
(5 days) Laurinc V. Central European Symposium on Theoretical Chemistry,
Zakopane Poland Sept. 2006
(4 days) Lukeš V. Central European Symposium on Theoretical Chemistry,
Zakopane Poland Sept. 2006
(4 days) Lukeš V. Technische Universität Graz (Dr. A.-M. Kelterer) Austria Oct. 2006
(6 days) Holá O. Research in Didactics of Science, 2nd International
Conference, Krakow Poland June-July 2006
(6 days) Holá O. XXVIII. Days of Radiation Protection, Luhačovice Czech Republic Oct. 2006
(14 days) Fedorko P. Max-Planck Institut für Festkörperphysik, Stuttgart (Dr.
S.Roth) Germany Nov-Dec 2006
14days Fedorko P. International conference on Science and Technology of
Synthetic Metals (ICSM 2006), Dublin Ireland July 2006
(8 days) Pálszegi T. Institute of Physical and Theoretical Chemistry, Graz
University of Technology (Dr. A.-M. Kelterer) Austria June 2006 (5 days)
VII. THESES AND DISSERTATIONS
B. Graduate Theses (MS Degree) for state examinations after five years of study
Name Title of Thesis Supervisor
Roland Šolc The theoretical study of dentrimers of triphenylamine type in different
oxidation states Lukeš V.
Viera Malachovská Electric field effect on the growth and characteristics of model
microorganisms and mammalian cells Fedorko P.