Institute for Mathematics and its Applications (IMA) - IMA Annual Program Year Tutorial: Fundamentals of Chemical Dynamics Simulations, January 11, 2009

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Mathematics and Chemistry, September 1, 2008 - June 30, 2009

IMA Annual Program Year Tutorial
Fundamentals of Chemical Dynamics Simulations

January 11, 2009

Program Application

Live Streaming

Abstracts and Talk Materials

Workshop: Chemical Dynamics: Challenges and Approaches January 12-16, 2009

Organizers

Peter Deuflhard	Zuse Institute Berlin (ZIB) and Freie Universität Berlin
Sharon Hammes-Schiffer	Chemistry, The Pennsylvania State University
William L. Hase	Chemistry and Biochemistry, Texas Tech University
Christian Lubich	Mathematisches Institut, Universität Tübingen
Maurizio Persico	Chimica e Chimica Industriale, Università di Pisa

Schedule

Sunday January 11, 2009
8:15am-8:45am	Coffee and registration		EE/CS 3-176
8:45am-9:00am	Welcome to the IMA	Fadil Santosa (University of Minnesota)	EE/CS 3-180
9:00am-10:00am	Potential energy surfaces, nonadiabatic transitions, and surface crossings	Maurizio Persico (Università di Pisa)	EE/CS 3-180
10:00am-10:30am	Break		EE/CS 3-176
10:30am-11:30am	Mixed quantum-classical dynamics	Maurizio Persico (Università di Pisa)	EE/CS 3-180
11:30am-12:30pm	Adiabatic decoupling and the partial classical limit	Stefan Teufel (Eberhard-Karls-Universität Tübingen)	EE/CS 3-180
12:30pm-2:00pm	Lunch
2:00pm-3:00pm	Adiabatic decoupling and the partial classical limit (continued)	Stefan Teufel (Eberhard-Karls-Universität Tübingen)	EE/CS 3-180
3:00pm-3:30pm	Break		EE/CS 3-176
3:30pm-5:30pm	Tutorial on time-dependent quantum mechanics	David Tannor (Weizmann Institute of Science)	EE/CS 3-180

Participants

NAME	DEPARTMENT	AFFILIATION
Dmitri Babikov	Chemistry Department	Marquette University
Sergio Blanes	Institute of Mathematics Multidisciplinary	Polytechnical University of Valencia
Peter Brune	Department of Computer Science	University of Chicago
Maria-Carme Calderer	School of Mathematics	University of Minnesota
Santanu Chaudhuri	Applied Sciences Laboratory	Washington State University
Xianjin Chen	Institute for Mathematics and its Applications	University of Minnesota
Daniel Dix	Department of Mathematics	University of South Carolina
József Farkas	Department of Computing Science & Mathematics	University of Stirling
Christopher Fraser	Department of Computer Science	University of Chicago
Laura Gagliardi	Department of Physical Chemistry	University of Minnesota
Jay Gopalakrishnan	Department of Mathematics	University of Florida
Vasile Gradinaru	Department of Mathematics	Eidgenössische TH Zürich-Zentrum
Mark Herman	Institute for Mathematics and its Applications	University of Minnesota
Jingfang Huang	Department of Mathematics	University of North Carolina
YunKyong Hyon	Institute for Mathematics and its Applications	University of Minnesota
Francesca Ingrosso	Equipe de Chimie et Biochimie Théoriques	Université de Nancy I (Henri Poincaré)
Mark Iwen	Institute for Mathematics and its Applications	University of Minnesota
Alexander Izzo	Department of Mathematics & Statistics	Bowling Green State University
Srividhya Jeyaraman	Institute for Mathematics and its Applications	University of Minnesota
Lijian Jiang	Institute for Mathematics and its Applications	University of Minnesota
Markus Keel	School of Mathematics	University of Minnesota
Claude Le Bris	CERMICS	CERMICS
Chiun-Chang Lee	Department of Mathematics	National Taiwan University
Yongfeng Li	Institute for Mathematics and its Applications	University of Minnesota
Tai-Chia Lin	Department of Mathematics	National Taiwan University
Chun Liu	Institute for Mathematics and its Applications	University of Minnesota
Mitchell Luskin	School of Mathematics	University of Minnesota
Bhabani Mallik	Department of Chemistry	University of Minnesota
Vasileios Maroulas	Institute for Mathematics and its Applications	University of Minnesota
Junalyn Navarra-Madsen	Department of Mathematics and Computer Science	Texas Woman's University
Isamu Ohnishi	Department of Mathematical and Life Sciences	Hiroshima University
Maurizio Persico	Dipartimento di Chimica e Chimica Industriale	Università di Pisa
Neeraj Rai	Department of Chemistry	University of Minnesota
Fadil Santosa	School of Mathematics	University of Minnesota
Arnd Scheel	School of Mathematics	University of Minnesota
Roman Schubert	Department of Mathematics	University of Bristol
Tsvetanka Sendova	Institute for Mathematics and its Applications	University of Minnesota
Yuk Sham	Center for Drug Design	University of Minnesota
David Tannor	Department of Chemical Physics	Weizmann Institute of Science
Stefan Teufel	Mathematical Institute	Eberhard-Karls-Universität Tübingen
Donald Truhlar	Supercomputer Institute and Department of Chemistry	University of Minnesota
Mark Tuckerman	Department of Chemistry	New York University
Steven Valone	Material Science and Technology Division	Los Alamos National Laboratory
Stephen Wiggins	Department of Mathematics	University of Bristol
Kin-Yiu Wong	Chemistry Department	University of Minnesota
Wei Xiong	Institute for Mathematics and its Applications	University of Minnesota
Weigang Zhong	Institute for Mathematics and its Applications	University of Minnesota
Yu Zhuang	Department of Computer Science	Texas Tech University

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