Preliminary Program
| Sunday, June 5 | |
| 18:00 - 20:00 | Registration |
| 19:00 - | Welcome buffet (providing food and beverages) |
| Monday, June 6 | |
| 8:45 | Welcome |
| 9:00 | Spano |
| Modeling disorder in conjugated oligomers and polymer films | |
| 9:45 | Nielaba |
| Numerical investigations of complex nano-systems | |
| 10:30 | Coffee |
| 11:00 | Agranovich |
| Hybrid electronic excitations in organic based nanostructures | |
| 11:45 | Briggs |
| Optical properties of molecular aggregates | |
| 12:30 | Lunch |
| 14:00 | Reineker |
| Dendrimers: Optical absorption and energy transfer | |
| 14:45 | Ankerhold |
| Charge transfer dynamics in molecular aggregates: What can we learn from real-time quantum Monte Carlo simulations? | |
| 15:30 | Tornow |
| Electron transfer in Donor-acceptor systems: Many-particle effects and influence of electronic correlations | |
| 15:50 | Coffee |
| 16:30 | Colloquium: Nitzan |
| Inelastic effects in electron tunneling | |
| 18:30 | Dinner |
| 20:00 | Poster |
| Tuesday, June 7 | |
| 9:00 | van Grondelle |
| Excitation dynamics in the LHCII complex of higher plants: Modeling based on the 2.72A crystal structure | |
| 9:45 | Sola |
| Shaping wave packets and molecules with light | |
| 10:30 | Coffee |
| 11:00 | Materny |
| Frequency-resolved spectroscopy using femtosecond laser pulses - Does this make sense? | |
| 11:45 | de Vivie-Riedle |
| Optimal control of molecular devices | |
| 12:30 | Lunch |
| 14:00 | Herek |
| Coherent control of energy transfer in biomolecules | |
| 14:45 | May |
| Ultrafast exciton dynamics in molecular systems | |
| 15:30 | Coffee |
| 16:10 | Kjellberg |
| Multi-dimensional fs spectroscopy of an excitonic dimer system, described by Redfield relaxation theory | |
| 16:30 | Engel |
| Quantum control fields from molecular dynamical response | |
| 17:15 | Shao |
| Stochastic description of quantum dissipative dynamics: Analytical theory and numerical simulations | |
| 18:30 | Dinner |
| Wednesday, June 8 | |
| 9:00 | Grubmüller |
| Elaborate pores and complex machines: nature's nanotechnology benchmarks | |
| 9:45 | Tokmakoff |
| Two-dimensional infrared spectroscopy of protein conformation and unfolding | |
| 10:30 | Coffee |
| 11:00 | Stock |
| Photoinduced conformational dynamics in biomolecules | |
| 11:45 | Marx |
| Nonadiabatic ab initio molecular dynamics: Coupled proton-electron transfer in solution | |
| 12:30 | Lunch |
| 13:30 | Excursion |
| Thursday, June 9 | |
| 9:00 | Hirst |
| Applying quantum chemistry to proteins | |
| 9:45 | Elstner |
| Approaching photochemistry and proton tranport in biologigcal system with QM/MM methods | |
| 10:30 | Coffee |
| 11:00 | M. Dittrich |
| Quantum mechanical/molecular mechanical simulations of biomolecular systems | |
| 11:45 | Kühn |
| Multidimensional vibrational quantum dynamics of CO-Heme compounds | |
| 12:30 | Lunch |
| 14:00 | Martinez |
| Ab initio molecular dynamics for excited electronic states: From butadiene to photoactive yellow protein | |
| 14:45 | Prezhdo |
| Time-dependent density functional studies of nonadiabatic molecular dynamics in novel nanomaterials | |
| 15:30 | Coffee |
| 16:10 | Roccatano |
| Insights into the structural and dynamic properties of Cytochrome P450 BM3 Heme domain in water and in DMSO/water mixture by MD simulations | |
| 16:30 | Evans |
| Exact solutions of condensed phase dynamics: Comparison to standard approximations and applications to electron transfer | |
| 17:15 | Käb |
| Stochastic Schrödinger equation approach to quantum/semiclassical dynamics | |
| 17:35 | Taraphder |
| Modelling the long range proton transfer paths in proteins | |
| 18:30 | Dinner |
| 20:00 | Poster |
| Friday, June 10 | |
| 9:00 | Rost |
| Quasiclassical simulation of rare gas clusters interacting with strong laser pulses | |
| 9:45 | Abe |
| Theoretical design and control of molecular electronic functions | |
| 10:30 | Coffee |
| 11:00 | Zacharias |
| Computer simulation of biomolecular association including local and global conformational flexibility | |
| 11:45 | Everaers |
| Structure and elasticity of DNA and chromatin | |
| 12:30 | Lunch |
| 14:00 | Helms |
| Biomolecular simulation of protein-protein interaction in solution and near charged membranes | |
| 14:45 | Taliani |
| Organic semiconductors as materials of choice for spintronics | |
| 15:30 | Coffee |
| 16:10 | Gavrilenko |
| Ab initio molecular dynamics and optical properties of organic macromolecular aggregates and molecular crystals | |
| 16:30 | Neufeld |
| Towards consistency and performance in quantum-classical treatment of reaction dynamics in condensed phase | |
| 19:00 | Conference Dinner |
| Saturday, June 11 | |
| 9:00 | Kohler |
| Molecular wires subject to laser-excitations | |
| 9:45 | Yan |
| Dynamics of Quantum Open Systems: Theories and Applications | |
| 10:30 | Coffee |
| 11:00 | Weiss |
| Quantum decoherence due to coherent background charges | |
| 11:45 | Petelenz |
| Polarons in tungsta "smart windows" --- a dynamicists's disappointment | |
| 12:30 | Lunch |
For further information please e-mail to: simula05@mpipks-dresden.mpg.de
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