Plenary Lectures William L. Jorgensen Yale University, USA Productive fusion: quantum and statistical mechanics for simulations of reactions in solution Werner Kutzelnigg Ruhr-Universitaet Bochum, Germany Challenges to ab-initio quantum chemistry. Electron correlation and relativity Yuan T. Lee Academia Sinica, Taiwan Experimental and theoretical understanding of chemical dynamics William H. Miller University of California Berkeley, USA Using the initial value representation of semiclassical theory to include quantum effects in classical molecular dynamics simulations Keiji Morokuma Emory University, USA Theoretical studies of chemical reactions: a fascinating world of chemistry Shigeru Nagase Institute for Molecular Science, Japan Interesting bonding and structures in large molecules Robert G. Parr University of North Carolina, USA Quantum chemistry, past and present Invited Lectures Evert-Jan Baerends Vrije Universiteit, The Netherlands Orbital-dependent functionals: from DFT to DMFT, and back Petr Cársky Academy of Sciences of the Czech Republic, Czech Republic MO approach to vibrational excitation of polyatomic molecules by electron impact Lorentz S. Cederbaum Universitaet Heidelberg, Germany Intermolecular coulombic decay and ultrafast energy transfer Jerzy Cioslowski University of Szczecin, Poland Exactly solvable coulombic models for calibration and benchmarking of electronic structure methods David C. Clary Oxford University, UK Quantum reaction dynamics of polyatomic molecules Wolfgang Domcke Technische Universitaet Muenchen, Germany Photochemical dynamics of hydrogen bonds in biomolecules Michel Dupuis Pacific Northwest National Laboratory, USA Electron/hole transport and reactivity in semiconductor metal oxides and other systems: computational characterization by Marcus theory Masahiro Ehara Kyoto University, Japan Theoretical fine spectroscopy: challenge to experiment Irmgard Frank Universitaet Muenchen, Germany First-principles simulation of photoreactions Laura Gagliardi University of Geneva, Switzerland Multiconfigurational quantum chemical methods for heavy metal systems: from transition metals to actinides Mark S. Gordon Iowa State University, USA Effective fragment potentials: a general approach to intermolecular interactions Stefan Grimme Universitaet Muenster, Germany News from second-order perturbation theory Axel Gross Technische Universitaet Muenchen, Germany Kinetics and dynamics of reactions at surfaces studied from first principles Sharon Hammes-Schiffer Pennsylvania State University, USA Nuclear-electronic orbital approach: including nuclear quantum effects in electronic structure calculations Robert J. Harrison Oak Ridge National Laboratory, USA Linear-scaling computational chemistry free of basis set error Trygve Helgaker University of Oslo, Norway Density-functional theory for large systems Pavel Hobza Academy of Sciences of the Czech Republic, Czech Republic Structure and properties of DNA and proteins: accurate stabilization energies of DNA base pairs and aminoacid pairs Kendall N. Houk University of California, USA Bifurcations on potential energy surfaces of organic and organometallic reactions Poul Jørgensen Arhus University, Denmark Coupled cluster calculation of response properties Shigeki Kato Kyoto University, Japan Energy surfaces and dynamics of molecules in solution Kwang S. Kim Pohang University of Science and Technology, Korea Theoretical design of functional nanomaterials and nanodevices Kazuo Kitaura National Institute of Advanced Industrial Science and Technology, Japan All electron calculations of proteins using fragment molecular orbital (FMO) method Jacek Komasa A.Mickiewicz University, Poland High accuracy calculations on small atoms and molecules including relativistic and QED effects William A. Lester, Jr University of California, Berkeley, USA Quantum Monte Carlo for electronic structure: recent application to the computation of molecular energies Shih-I. Lu Fooyin University, Taiwan Electron structure calculations by a random walk based approach Todd J. Martínez University of Illinois, USA Ab initio molecular dynamics beyond the Born-Oppenheimer approximation Josef Michl University of Colorado, USA Design of singlet-fission sensitizers for a more efficient solar cell Debashis Mukherjee Indian Association for the Cultivation of Science, India An exact mapping of the state-specific multi-reference coupled cluster theory to a multi-reference dressed CI : an efficient way to bypass both intruders and redundancy Takahito Nakajima University of Tokyo, Japan Quantum chemistry towards large-scale calculations Hiroki Nakamura Institute for Molecular Science, Japan Comprehension and control of chemical dynamics Marcel Nooijen University of Waterloo, Canada New developments in single-reference and multi-reference electronic structure methods John P. Perdew Tulane University, USA Relevance of the electron gas of slowly-varying density to atoms, molecules and solids Piotr Piecuch Michigan State University, USA Advances in electronic structure theory: single-reference methods for multi-reference problems Mark A. Ratner Northwestern University, USA Electronic motion in molecular circuits: a problem in theoretical chemistry H. Bernhard Schlegel Wayne State University, USA Exploring potential energy surfaces for chemical reactions Péter R. Surján Eoetvoes University, Hungary Idempotent density matrices: Hartree-Fock and correlated calculations without molecular orbitals Yun-Dong Wu Hong Kong University, China Theoretical understanding of some important catalytic reactions Xin Xu Xiamen University, China Hydrogen abstraction mechanism for C-H activation by metal oxo compounds Weitao Yang Duke University, USA Self-interaction-free exchange-correlation energy functional for thermodynamics and kinetics ICQC2006 Time table