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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