Programme

This is preliminary version of programme
Sunday, September 12
15:00-17:00	Registration
	Chairman: Miroslav Urban
17:00-17:10	Opening
17:10-17:55	Josef Michl
	Trying to Understand the Mysterious Fluorescence of σ Systems: Oligosilanes
17:55-18:40	Andras Stirling
	Reaction mechanism from quantum chemistry: unbiased and biased simulations
18:40-19:25	Florent Louis
	Thermochemical data calculation by quantum chemistry methods: application to ten species involved in low-temperature oxidation mechanism of o-xylene
19:30-21:00	Welcome Party
Monday, September 13
	Chairman: Stanislaw Kucharski
8:30-9:15	Piotr Piecuch
	Local correlation coupled-cluster methods exploiting cluster-in-molecule ansatz and their multi-level generalizations
9:15-9:35	Tatiana Korona
	Local treatment of electron correlation for first-order molecular properties from expectation-value CCSD theory
9:35-9:55	Tamás Zoboki
	Electron Correlation Calculations with Strictly Localized Orbitals
9:55-10:15	Kalju Kahn
	Anharmonic Vibrational Analysis with Explicitly Correlated Wavefunctions
10:15-10:45	Coffee Break
	Chairman: Peter Surjan
10:45-11:30	Agnes Nagy
	Pair density functional theory
11:30-11:50	Alexei Arbuznikov
	Local hybrids: conceptually simple hyper-GGA exchange-correlation functionals for the Kohn-Sham density functional calculation of a wide range of properties
11:50-12:10	Dorota Rutkowska-Zbik
	DFT Studies on Catalytic Oxidation of Cyclohexene on Manganese Porphyrins
12:10-12:30	Prokopis Andrikopoulos
	Periodic-DFT study of the N2O decomposition over Fe-ferrierite
12:30-14:00	Lunch
	Chairman: Philippe Durand
14:30-15:15	Katarzyna Pernal
	Treating static and dynamic correlation with range-separated density and density matrix functionals
15:15-15:35	Michal Przybytek
	Gaussian and Finite-Element method for the calculation of Coulomb integrals
15:35-15:55	Štefan Varga
	The Brillouin zone integration problem in density fitting of extended systems
15:55-16:25	Coffee Break
	Chairman: Bogumil Jeziorski
16:25-16:45	Dariusz Kedziera
	Wave function in the relativistic two componet methods
16:45-17:05	Konrad Piszczatowski
	Relativistic, QED and nonadiabatic effects in the interaction of hydrogen atoms
17:05-17:25	Ágnes Szabados
	The problem of small coefficients in SS-MRPT
17:25-17:45	Péter Szakács
	Jahn-Teller distortion and zero-field-splitting in carbon nanotubes
17:45-18:05	Libor Veis
	Quantum chemical computations on quantum computers
18:30-20:00	Dinner
20:00-21:30	Posters 1
	pp 64-101 (see Book of Abstracts)
Tuesday, September 14
	Chairman: Stanislav Biskupič
8:30-9:15	Roman Čurík
	Message to quantum chemists: What we learned about DFT by modelling electron-molecule collisions
9:15-9:35	Petr Čársky
	Prospects of using MP2 for electron scattering
9:35-9:55	Lubomír Skála
	Quantum mechanics and mathematical statistics
9:55-10:15	Ján Šimunek
	Orbital Optimized Second-Order Many-Body Perturbation Theory Via Coupled Cluster Ansatz
10:15-10:45	Coffee Break
	Chairman: Jan Hrušák
10:45-11:30	Thomas Hofer
	Characterisation of anisotropic hydration phenomena with QM/MM models
11:30-11:50	Mariusz Pawel Mitoraj
	A Combined Charge and Energy Decomposition Scheme for Analysis of Chemical Bonds and Reaction Paths
11:50-12:10	Łukasz Piękoś
	Molecular dynamics modeling of half-metallocene titanium(IV) ethylene polymerization catalysts
12:10-12:30	Aleš Vítek
	Structural changes in the water tetramer and hexamer. A Combined Monte Carlo and DFT study.
12:30-14:00	Lunch
	Chairman: Alexander Sax
14:30-15:15	Christoph Flamm
	In silico Evolution of Early Metabolism
15:15-15:35	Ivana Paidarova
	Kinetic equations and dissipation.
15:35-15:55	Katarzyna Kulczycka
	Internal flexibility of clindamycin
15:55-16:25	Coffee Break
16:30-18:00	Posters 2
	pp 103-145 (see Book of Abstracts)
19:00-21:30	Conference Dinner
Wednesday, September 15
	Chairman: Ivan Černušák
8:30-9:15	Miroslav Medveď
	Study and design of nonlinear optical materials: from molecules, through oligomers to polymers
9:15-9:35	Laszlo Nyulaszi
	Some predictions on stable molecules: failure and success.
9:35-9:55	Dana Nachtigallova
	Photodynamics of pyrimidine-based molecules: Effect of substitution and initial energy
9:55-10:25	Coffee Break
	Chairman: Jiří Pittner
10:25-11:10	Monika Musial
	Fock space coupled cluster theory for two-valence sectors
11:10-11:30	Kiran Bhaskaran Nair
	Multireference State-Specific Mukherjee's Coupled Cluster Methods With Triexcitations
11:30-11:50	Istvan Mayer
	The promotion energy of an atom in a molecule
11:50-12:10	Leszek Meissner
	An extension of the coupled-cluster corrected configuration interaction method
12:10-12:20	Closing
12:30-14:00	Lunch