| Participant |
Affiliation |
Title of presentation |
| Salomon R. Billeter |
IBM Research, Zurich Research Laboratory, Switzerland |
Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes and other systems |
| Sharon Hammes-Schiffer |
Pennsylvania State University, USA |
Multiconfigurational nuclear-electronic molecular orbital approach |
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| Koji Ando |
University of Birmingham, UK |
Solvent nuclear and electronic quantum effects in electron transfer reactions |
| Gabriel Balint-Kurti |
University of Bristol, UK |
Time-Dependent Quantum Theory applied to electronically non-adiabatic dynamics of small molecules |
| Giovanni Ciccotti |
Università di Roma I "La Sapienza" |
Wigner approach to quantum-classical nonadiabatic dynamics |
| David Coker |
Boston University, USA |
Modeling charge transfer excited state dynamics in solution |
| James T. Hynes |
ENS, Paris, France |
On the theory of the dissociation of aromatic radical anions in solution: A ground electronic state conical intersection problem |
| Eberhard K. U. Gross |
Universität Würzburg, Germany |
Density functional theory of the combined system of electrons and nuclei |
| Jürg Hutter |
Universität Zürich, Switzerland |
Excited State Energy Surfaces from Density Functional Theory |
| Raymond E. Kapral |
University of Toronto, Canada |
Statistical Mechanics of Quantum-Classical Systems |
| Donal Mac Kernan |
CECAM, France |
Long Time Propagators for Mixed Quantum Classical Dynamics |
| Uwe Manthe |
TU München, Germany |
Quantum dynamics of non-adiabatic processes: System-bath separation and mixed quantum-classical dynamics |
| Craig C. Martens |
University of California, Irvine |
Simulating Quantum Processes using Entangled Classical Trajectories |
| Todd J. Martínez |
University of Illinois, USA |
Ab Initio and "Nearly Ab Initio" Quantum Molecular Dynamics |
| Nikos Doltsinis |
Ruhr-Universität Bochum, Germany |
Non-adiabatic Car-Parrinello molecular dynamics |
| William H. Miller |
University of California at Berkeley, USA |
Using the Semiclassical Initial Value Representation to Add Quantum Effects to Classical Molecular Dynamics Simulations |
| Oleg Prezhdo |
University of Washington, USA |
Incorporating quantum solvent effects into non-adiabatic molecular dynamics with application to ultrafast electron transfer from an organic donor to a semiconductor acceptor |
| Peter Rossky |
University of Texas, USA |
Computationally convenient description of electronic coherence evolution in mixed quantum-classical condensed phase simulations |
| Michael Thoss |
TU München, Germany |
Systematic convergence in the dynamical hybrid approach: A method to describe quantum dynamics in dissipative systems |