1st Pittsburgh-Prague Symposium On Complex Molecular Systems

Accomodation and all venues will take place in Villa Lanna, V sadech 1, Prague 6 - Dejvice, phone: ++420-224 321 278 (for photo have a look here). Pick-up at the Prague airport and transportation to Villa Lanna will be organized. Accomodation and meals are fully covered.

Preliminary Program

• February 5
  
  Arrival, 18:00 - informal get-together with dinner
  
  
• February 6
  
  

  8:00	Breakfast
  9:00	Coalson	Modeling Ion Permeation Through Protein Channels
  9:45	Hof	Solvent Relaxation in Phospholipid Bilayers
  10:15	Hobza	Structure and Dynamics of Nucleic Acids Base Pairs
  10:45	Coffee Break
  11:15	Jordan	Role of Electron Correlation Effects in the Conformational Properties of Biomolecules
  12:00	Havlas	Electronic Spectra of Parallel Benzene Excimer Model
  12:30	Lunch
  14:00	Petek	Probing of Ultrafast Electron and Nuclear Dynamics at Metal Surfaces by Time-Resolved Photoemission
  14:45	Kuzel	Photon Driven Ultrafast Plasma Expansion in GaAs: A Study by Time- Resolved Terahertz Spectroscopy
  15:15	Coffee Break
  15:45	Tikhonov	Laser Driven Current Through Molecular Wires
  16:15	Samec	Quasi-elastic Laser Light Scattering on Phospholipid Monolayers
  16:45	Poster + 5 min Oral Presentations, drinks will be available
  	Chocholousova   Potential and Free Energy Surfaces of the Formic and Acetic Acid Dimers: Theory and Experiment Chocholousova   Glycine Dimer: Empirical and High-Level Non-Empirical Ab Initio Calculations and Experimental Study Hanus, Rejnek   Ab Initio and Molecular Dynamics Study of Guanine Tautomers in the Gas Phase, in a Microhydrated Environment and in Aqueous Solution Jurecka, Hobza   Towards True Stabilization Energies of H-bonded and Stacked DNA Base Pairs Kabelac   Potential Energy Surfaces of Guanine - Cytosine Base Pair and Related Tautomers: Molecular Dynamics and Ab Initio Study Kadlec   Methodology of Optical pump-terahertz probe experiments Klusak   Nature of Binding of Bombykol in Pheromone Binding Protein. An Ab Initio Study Kyvala   Spin-Orbit Coupling and Zero-Field Splitting of CASSCF States of Polyatomic Molecules Lepsik   Nanosecond Molecular Dynamics of HIV Protease-inhibitor Complexes; Insights into Differential Binding Potency Svec   Kinetic and Structural Characterization of Two Active Forms of Aspartic Proteinase from Murine Intracisternal A-type Particles Svozil   On the Improvement of The Empirical Potential Dispersion Energy Term Sychrovsky   Solvent Effect on NMR Spin-Spin Coupling Constants in DNA Tikhonov   Diffraction of Light from Colloidal Crystals Vondrasek   Study of Peptidic Bond Nonplanarity - Consequences for Proteins

  
  
• February 7
  
  

  8:00	Breakfast
  9:00	Amemiya	Probing Molecular Transport at the Nuclear Envelope by Scanning Electrochemical Microscopy
  9:45	Malijevsky	Statistical Thermodynamics of Fluids
  10:15	Jungwirth	Molecular Modeling of Atmospheric Aerosols and Cryogenic Clusters
  10:45	Coffee Break
  11:15	Warriner	Collapse and Respreading in Single Component Lipid Monolayers - Implications for Lung Surfactant Design
  12:00	Spirko	Radiative Association of Triatomics
  12:30	Lunch
  14:00	Petoud	Luminiscence Lanthanide Complexes for Applications in Life Sciences
  14:45	Nachtigallova	Theoretical Studies of Metal Cations in Zeolites
  15:15	Coffee Break
  15:45	Nachtigall, Bludsky	Effect of the Environment on Vibrational Properties of Molecular Ions
  16:30	Poster + 5 min Oral Presentations, drinks will be available
  	Benda   Coefficients in Planar Phospholipid Systems by Fluorescence Correlation Spectroscopy Bumba, Kolafa   Global Phase Diagram of the BMCSL - Dieterici Equation of State Kolafa, Labik, Francova   The Density Dependence of the Bridge Function of Hard Spheres Kucera   Pyrrol as a Probe Molecule for Characterization of Active Sites in Alkali-metal Exchanged ZSM-5: Combined IR and Theoretical QM/MM Study Al. Malijevsky   Exact Calculation of Depletion Force of Hard Spheres Within the Fundamental Measure Theory Moravek, Hujo, Labik   Excess Volumes of Model Molecular Fluid Mixtures Mucha   Quantum Dynamics and ZEKE Spectra of the Cl-...H2O Complex Odvarkova   Behavior Fluorated and Non-fluorated Alcohols in Monolayers; Computer Simulation Study Roeselova   Adsorption of Ozone and OH Radical on Aqueous Sea Salt Aerosols Sindelka   Bound and Continuum Electronic States of Dipole Bound Anions Silhan   Theoretical Study of NO and CO Interaction with TMI in High-silica Zeolites: Cu+ vs. Ag+ Ions Slavicek   Photodissociation and Cageing of Hydrogen Halides in/on Large Rare Gas Clusters Zdanska   Formation of Protonium in Rearrangement Collisions

  
  
• February 8 - 9
  
  Free time, Sightseeing, ...
  
  
• February 10
  
  Departure