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Partnership in International Research and Education (PIRE) To Train Graduate, Undergraduate, and High School Students |
Partnership in International Research and Education, NSF Program |
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NSF/PIRE Workshop | |||
Tuesday, July 20
Session Chair: Saulo Vasquez, University of Santiago de Compostela
9:50 Bill Hase, Texas Tech University, "Introduction and Overview of Program"
10:00 David Glowacki, University of Bristol, "Gas Phase Non-Adiabatic TST: Theory and Applications"
11:00 Ruben Meana-Pañeda, University of Santiago de Compostela, "Least-Action Tunneling Transmission Coefficient for Polyatomic Reactions"
11:20 Break
12:00 John Tully, Yale University, "Homochirality: Did Life Grind to a Start?"
1:00 Dan Ferguson, Texas Tech University, and George Schoendorff, Iowa State University, "MCSCF Study of the Structure of Uranium Tetrafluoride"
1:45 Lunch
Session Chair: Maurizio Persico, University of Pisa
3:30 Hans Lischka, University of Vienna, "On-the-Fly Non-Adiabatic Dynamics: Photostability of DNA Bases and Defect Transport in Pi-Stacked Model Systems"
4:30 J. Luis Pérez Lustres, University of Santiago de Compostela, "Femtosecond Spectroscopy Reveals Coherent Population Transfer on the Way Towards the Conical Intersection"
5:15 Break
5:45 Danyal Floisand, Westminster College, and Matthew Siebert, Texas Tech University, "Photochemistry of Adenine Tautomers"
6:30 Bill Hase, Texas Tech University, "Motivation for Microcanonical Sampling at a Conical Intersection"
7:00 Session Ends
Wednesday, July 21
Session Chair: Emilio Martínez-Núñez, University of Santiago de Compostela
10:00 Otilia Mo, Universidad Autónoma de Madrid, "The Ever-Surprising Boron Chemistry. Unexpected Structures and Unexpected Reactivity"
11:00 Chris Sosa, Columbia University, and Juan J. Nogueira, University of Santiago de Compostela, "Soft-landing of Peptides on SAM Surfaces"
11:45 Break
12:15 Joshua Engelkemier, Iowa State University, and Kyoyeon Park, Texas Tech University, "An Algorithm for Microcanonical Sampling at a Conical Intersection"
1:00 Adelia Aquino, University of Vienna/University of Natural Resources Applied Life Sciences, Vienna, "Water- and Calcium-Bridges in Nanopores of Humic Acid Models: Static DFT and Dynamic DFTB Investigations"
1:45 Lunch
Session Chair: Adelia Aquino, University of Vienna/University of Natural Resources and Applied Life Sciences, Vienna
3:30 Manuel Yáñez, Departamento de Química, Universidad Autónoma de Madrid, "Some Bonding Challenges: Non-Conventional Structures and Other Beauties"
4:30 Jerilyn Valentine, Biola University, and Emilio Martínez-Núñez, University of Santiago de Compostela, "Energy Transfer in Collisions of Rare Gases with Acetylene and Vinilydene"
5:15 Break
5:45 Richard Li, Princeton University, and Philip Shuskov, Yale University,"Extension of Ring Polymer Molecular Dynamics to Non-Adiabatic Processes"
6:30 Workshop Ends and Concluding Remarks by Saulo Vasquez
U.S. Mentors: Bill Hase and Yu Zhuang, Texas Tech University; John Tully, Yale University; Theresa Windus, Iowa State University
Designer and Web Manager: Sailesh Baidya, Manisha Bajracharya,Yugendra Guvvala, Texas Tech University
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