Current Trends
in Theoretical Chemistry V
6-10 July 2008, Kraków, Poland



K. Gumiński






Invited speakers

  • Karl Jug (Theoretische Chemie, Leibniz Universitaet Hannover, Germany) Cluster models and molecular dynamics - new methods for solids, surfaces and catalysis
  • Timothy Keiderling (Department of Chemistry, University of Illinois, Chicago, USA) Enhanced resolution of peptide vibrational spectra, experimental and computational results with selective isotopic labeling
  • Robert W. Munn (University of Manchester, UK) Relating the non-linear optics of materials and molecules
  • Dennis Salahub (Department of Chemistry, University of Calgary, Canada) Quantum mechanics and molecular mechanics: could they/should they play a key role in systems biology? What's possible? What's not?
  • Joachim Sauer (Humboldt Universitaet, Berlin, Germany) Quantum mechanical studies on transition metal oxide and zeolite catalysts
  • Per Siegbahn (Department of Biochemistry and Biophysics, Stockholm University, Sweden) A structure consistent mechanism for dioxygen formation in photosystem II
  • Andrzej Sobolewski (Institute of Physics, Polish Academy of Sciences, Warsaw, Poland) Photophysics of hydrogen bond: from theory to applications
  • Jiri Sponer (Institute of Biophysics, Academy of Sciences of the Czech Republic, Brno, Czech Republic) Computational studies on RNA and DNA
  • Tom Ziegler (Department of Chemistry, University of Calgary, Canada)

Keynote speakers

  • Yuriko Aoki (Kyushu University, Fukuoka, Japan) O(N) quantum chemistry approach to gigantic systems by the elongation method
  • Gabor Csonka (Budapest University of Technology and Economics) Recent improvements in semi-local Density Functionsl Theory
  • Alan Aspuru-Guzik (Harvard University, Cambridge, USA) Accelerating quantum chemistry calculations using general-purpose graphics computers (GPGPU)
  • Ireneusz Grabowski (Nicolaus Copernicus University Torun, Poland) Orbital dependent correlation functionals in KS-DFT
  • Feng Long Gu(Fukuoka, Japan) A new strategy to design nonlinear optical materials
  • Michal Jaszunski (Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw, Poland) Ab initio studies of the parametrs of the NMR spectrum
  • Pawel Kozlowski (University of Louisville, USA) Quantum chemical modeling of Co-C bond activation in B12-dependent enzymes
  • Robert Moszynski (Warsaw University, Poland) Relativistic and QED treatment of long-range resonant interactions between like atoms
  • Sourav Pal (National Chemical Laboratory, Pune, India) Coupled-cluster response theory
  • Manthos Papadopoulos (National Hellenic Research Foundation, Athens, Greece) The linear and nonlinear optical properties of some rare-gas containing molecules
  • Markus Reiher (ETH Zuerich, Switzerland) The Density Matrix Renormalization Group in Chemistry
  • Sven Tobisch (University of St.Andrews, UK) Structure-reactivity relationships in the TM-catalysed polymerisation of 1,3-butadiene
  • Henryk Witek (National Chiao Tung University, Hsinchu, Taiwan) When finite becomes infinite