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NSF/PIRE Workshop | |||
Monday, August 18
Session Chair: Saulo A. Vazquez, University of Santiago de Compostela
8:50 Bill Hase, Texas Tech University, Introduction and Overview of Program
9:00 Luis Banares, Universidad Complutense Madrid, Non-Adiabaticity in Photodissociation Dynamics from Nanosecond and Femtosecond Imaging Experiments
10:00 Bernhard Sellner, University of Vienna, Photodynamics of Pyrrole Starting at a Conical Intersection
10:30 Break
11:00 Giovanni Granucci, University of Pisa, Spin-Orbit Coupling in a Semiempirical Context and Molecular Dynamics
11:30 Evan Wang, University of Richmond, Electrocyclizations of Penta-, Hepta-, and Octa-diynes
12:00 Lunch
Session Chair: Hans Lischka, University of Vienna
2:00 Nikos Doltsinis, King's College London, Molecular Dynamics Beyond the Born-Oppenheimer Approximation: Mean-Field and Surface Hopping
3:00 Greg Springsted, University of Richmond, Molecular Dynamics Study of POSS as an HIV-1 Protease Inhibitor
3:30 Break
4:00 Juan J. Nogueira, University of Santiago de Compostela, and Robert Harris, Wofford College, Soft-Landing of Silyl Ions on a Fluorinated Self-Assembled Monolayer Surface: Potential and Chemical Dynamics Simulation
5:00 Bruce Garrett, Pacific Northwest National Laboratory, Theoretical and Computational Chemistry Research at Pacific Northwest National Laboratory
5:30 Session Ends
Tuesday, August 19
Session Chair: Maurizio Persico, University of Pisa
9:00 Jaroslaw Szymczak, University of Vienna, Mechanism of Photodeactivation in Retinal Chromophore Models.
9:30 Jaclyn Adkins, NW Missouri State University, and Jason Soo Hoo, Siena College, Electronic Non-Adiabatic Dynamics of Thymine
10:30 Break
11:00 Joshua Kretchmer, University of California, Berkeley, Triplet and Singlet Surfaces of the O + Ethylene Reaction
12:00 Lunch
Session Chair: Emilio Martinez-Nunez, University of Santiago de Compostela
2:00 Eckart Hasselbrink, University of Duisburg-Essen, Non-Adiabaticity in Surface Chemical Reactions
3:00 John C. Tully, Yale University, Interaction of Open-Shell Atoms and Molecules with Surfaces
3:30 Break
4:00 Kyoyeon Park, Texas Tech University, and Erica Raheja, University of South Carolina, Triplet and Singlet Surfaces of the O2 + Ethylene Reaction
5:00 Bill Hase, Texas Tech University, Concluding Remarks
U.S. Mentors: Bill Hase and Yu Zhuang, Texas Tech Univeristy; John Tully, Yale University; Theresa Windus, Iowa State University
Designer and Web Manager: Sailesh Baidya, Manisha Bajracharya, Texas Tech University