Workshop Details
School of Molecular Kinetics
07/14/2014 - 07/18/2014
Meeting Description:

Understanding kinetics is essential for the elucidation of molecular processes in atmospheric sciences, chemical reactors, condensed phase chemistry, and biochemical reactions. This school is focused on the theory, algorithms, simulations methods, and analysis of molecular kinetics in the liquid phase. It provides a comprehensive coverage of the foundations of rate theory. Modern approaches to the study of kinetics, which routinely combine the use of computer simulations with analytic analysis, are covered as well. Topics to be covered include: (i) Stochastic processes: Langevin dynamics, Fokker-Planck Equation, Path Integral formulation, Generalized Langevin Equation, (ii) Crossing barriers: Transition State Theory, Kramers’ equation, Grote-Hynes theory, Transmission Coefficient, Dominant Paths, (iii) Simulation techniques: Kinetic Monte Carlo, Molecular Dynamics, Umbrella Sampling and Generalized Ensembles, (iv) Enhanced Sampling Techniques for Kinetics: Transition Interface Sampling, Forward Flux, Weighted Ensembles, and Milestoning. (v) Analyzing the results of simulations: Committors, Markov State Models, Transition Path Theory and Milestoning graphs, and Maxflux pathways.

Meeting Venue:

Telluride Intermediate School
725 W. Colorado Ave Telluride CO 81435

Registered Meeting Participants:
Participant Organization Arrival Information Departure Information Interested in Sharing Transportation?
Bello-Rivas, Juan M. University of Texas at Austin
Boninsegna, Lorenzo Rice University 7/13
7/18
Y
Brown, Paul Baylor University 7/13
7/18
Elber, Ron University of Texas at Austin 7/6
7/18
Gobbo, Gianpaolo University of Edinburgh 7/13
7/19
Y
Hudait, Arpa UNIVERSITY OF UTAH 7/13
7/19
Y
Jackson, Nicholas Northwestern University
Mahmoodinia, Mehdi Norwegian University of Science and Technology
Makarov, Dmitrii UT Austin 7/13
7/20
Moqadam, Mahmoud Norwegian University of Science and Technology
Mubin, Shafat Penn State Physics
Mugnai, Mauro University of Texas
Nguyen, Andrew University of Utah 7/13
7/19
Y
Orland, Henri Institut de Physique Théorique, CEA-Saclay 7/13
7/18
Pratt, Adam University of Pittsburgh 7/13
7/20
Y
Saglam, Ali Sinan University of Pittsburgh 7/13
7/20
Y
Song, Bin University of Utah 7/13
7/19
Y

Telluride Science Research Center
Post Office Box 2429, Telluride CO 81435
Tel: + 970.708.4426
Email: info@telluridescience.org
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