Program

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Monday, March 12th

08:50

Welcome

Roi Baer, Fritz Haber Center, The Hebrew University of Jerusalem, Israel

I Chair: Robert Englman, Ariel University
09:00 The H3++ Molecular System as a Cornerstone for Building Molecules During the Big Bang,
Michael Baer, Soreq Nuclear Center and Fritz Haber Center, The Hebrew University of Jerusalem, Israel
09:30 Quantum Nonadiabatic Dynamics in the Moving Crude Adiabatc Representation,
Artur Izmaylov, University of Toronto, Canada
10:00 Jahn-Teller effect among electronic resonant states of H3,
Asa Larson, University of Stockholm, Sweden
10:30 Coffee
11:00 Nuclear velocity perturbation theory within the exact factorization: A new way of treating non-adiabatic effects,
Eberhard K. U. Gross, Max Planck Institute for Microstructure Physics, Halle, Germany, and Fritz Haber Center, The Hebrew University of Jerusalem, Israel
11:30 Geometric Phase Effects in Nonadiabatic Tunneling,
Hua Guo, University of New Mexico, USA
12:00 Rigorous Trajectory-Based Methods for Simulating Nonadiabatic Dynamics,
Craig Martens, University of California Irvine, USA
12:30 Lunch in the Belgium House
II Chair: Dorit Shemesh, Fritz Haber Center, The Hebrew University of Jerusalem, Israel
15:00 New electronic structure tools for modeling non-adiabatic processes,
Anna Krylov, University of Southern California, USA
15:30 Excited state dynamics in Proteorhodopsin,
Igor Schapiro, Fritz Haber Center, The Hebrew University of Jerusalem, Israel
16:00 CASPT2 non-adiabatic dynamics,
Toru Shiozaki, Northwestern University, Illinois, USA
16:30 Coffee
17:00 Time evolution of the Landau-Zener problem under weak measurement,
Abraham Nitzan, University of Pennsylvania, USA and Tel Aviv University, Israel
17:30 Non-Equilibrium Thermodynamics in Open Quantum Systems via The Driven Liouville von Neumann (DLvN) Approach,
Oded Hod, Tel Aviv University, Israel
18:00 Reception and Poster Session

Tuesday, March 13th

III Chair: Daniel Strasser, Hebrew University of Jerusalem, Israel
09:00 Describing Potential Energy Surfaces around Conical Intersections via Symmetry Breaking and Restoration Techniques,
Gustavo Scuseria, Rice University, Texas, USA
09:30 Derivative Couplings, Line Integrals, Fit Coupled Potential Energy Surfaces and the Molecular Aharanov Bohm Effect Revisited,
David Yarkony, Johns Hopkins University, Maryland, USA
10:00 Towards quantum simulations for electronic dynamics for small molecules with Multi-Configuration Time-Dependent Hartree (MCTDH),
Fabien Gatti, University Paris Sud, France
10:30 Non-adiabatic coupling in the ozone molecule,
Alexander Alijah, University of Reims, France
11:00 Coffee
IV Chair: Igor Rahinov, The Open University, Israel
11:30 Nested Funnels and Nonadiabatic Dynamics in Photosynthesis,
David Jonas, University of Colorado Boulder, USA
12:00 Understanding and engineering the vibrational coherence of vision,
Massimo Olivucci, Universita di Siena, Italy
12:30 Nonadiabatic Energy Transfer,
Troy van Voorhis, Massachusettes Institute of Technology, Massachusettes, USA
13:00
Combined Electronic Structure and Quantum Dynamical Analysis for Charge Separation and Singlet Fission,
Hiroyuki Tamura, The University of Tokyo, Japan
13:30 Lunchboxes + Tour of old city
19:00 Festive Dinner at "Modern", the Israel Museum of Art
 

Musical Interlude

On the occasion of Michael Baer's 80'th Birthday:
Tribute to a Pioneer in Chemical Physics,
Donald J. Kouri, University of Houston, Texas, USA

Wednesday, March 14th

V Chair: Ester Livshits, Fritz Haber Center, The Hebrew University of Jerusalem, Israel
09:00 Classical Molecular Dynamics Simulations of Electronically Non-Adiabatic Processes,
William Miller, University of Cailfornia, Berkeley, California, USA
09:30 Excited state dynamics with trajectories,
Federica Agostini, University Paris- Sud, France
10:00 Full Quantum Direct Dynamics Simulations of Non-adiabatic Photochemistry,
Graham Worth, University College London, UK
10:30 Coffee
11:00 Isotope effect in a non adiabatic transition and longer time vibronic coherence,
Raphael D. Levine, Fritz Haber Center, The Hebrew University of Jerusalem, Israel
11:30 Light-induced conical intersections,
Ágnes Vibók, University of Debrecen, Hungary
12:00 A New Look at Normal and Anomalous Diffusion,
Donald J. Kouri, University of Houston, Texas, USA
12:30 Lunch in the Belgium House
VI Chair: Narayanasami Sathyamurthy, Indian Institute of Science Education and Research, Mohali, India
14:30 Time-Dependent Nonadiabatic Markovian Quantum Master Equation,
Ronnie Kosloff, Fritz Haber Center, The Hebrew University of Jerusalem, Israel
15:00 Non Adiabatic Phenomena in Open Systems,
Nimrod Moiseyev, Technion - Israel Institute of Technology, Israel
15:30 Nonadiabatic Dynamics via The Generalized Quantum Master Equation,
Eitan Geva, University of Michigan at Ann Arbor, Israel
16:00 Coffee
16:30 Does electronic non-adiabaticity influence rates of surface reactions?
Alec Wodtke, Max Planck Institute Göttingen, Germany
17:00 Cooling and Mechanical Stabilization of Molecular Resonant Tunneling Devices,
Uri Peskin, Technion - Israel Institute of Technology, Israel
17:30 Mean Field vs Stochastic Approaches to Nonadiabatic Dynamics,
Joe Subotnik, University of Pennsylvania, USA

Thursday, March 15th

VII Chair: Igor Schapiro, Fritz Haber Center, The Hebrew University of Jerusalem
09:00 Electronic Excited States from Pairing Matrix Fluctuations and Particle-Particle Random Phase Approximation,
Weitao Yang, Duke University, North Carolina, USA
09:30 Stochastic GW for thousands of electrons and more,
Daniel Neuhauser, University of California at Los Angeles, California, USA
10:00 Beyond Born-Oppenheimer Theories on Molecular Processes and Phase Transitions in Solid States,
Satrajit Adhikari, Indian Association for the Cultivation of Science, Calcutta, India
10:30 Coffee
11:00 Ultrafast nonadiabatic dynamics in photovoltaic polymer materials: Coherence, delocalization, and disorder,
Irene Burghardt, Goethe University, Frankfurt, Germany
11:30
Non-Adiabatic Interaction and the Geometric Phase,
Narayanasami Sathyamurthy, Indian Institute of Science Education and Research, Mohali, India
12:00 Nonadiabatic Dynamics Simulations of Organic Materials with Optical Activity,
Mario Barbatti, Aix-Marseille Université, France
12:30 Lunch in the Belgium House
VIII Chair: Francoise Remacle, Department of Chemistry, University of Liège, Liège Belgium
14:30 Recent advances in nonadiabatic dynamics and applications to nanoscale materials,
Oleg Prezhdo, University of Southern California, California, USA
15:00 Probing chromophores for singlet fission by surface hopping simulations,
Maurizio Persico, Università di Pisa, Italy
15:30 Quantum Transitions with Classical Trajectories: A Simple and Rigorous Derivation,
David Tannor, Weizmann Institute of Science, Israel
16:00 Coffee
16:30 Electron and Nuclear Dynamics Driven by a Coherent Superposition of Electronic Wavefunctions (Implications for Attosecond Spectroscopy),
Michael Robb, Imperial College London, UK
17:00 Time-Domain Quantum Chemistry,
Kazuo Takatsuka, The University of Tokyo, Japan
17:30 Tunneling flight time in nonadiabatic transitions.,
Eli Pollak, Weizmann Institute of Science, Israel