Workshop Details
Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases
07/27/2015 - 08/07/2015
Meeting Description:

After the TSRC workshops in 2007 and 2013 this is the third workshop devoted to the phase space structures that govern the dynamics of reactions. These workshops have been triggered by the geometric insight from dynamical systems theory that has led to a rigorous realisation of Transition State Theory. It comprises a solution to the longstanding problem of how to construct of a recrossing-free dividing surface for multi-degree-of-freedom systems. It has been shown that such a dividing surface spans a normally hyperbolic invariant manifold (NHIM) which is induced by a saddle-type equilibrium that is characteristic for reaction dynamics. The NHIM can be viewed as a generalisation of the unstable periodic orbit which has led to the rigorous realisation of Transition State Theory for 2-degree-of-freedom systems in terms of a periodic orbit dividing surface (PODS) as has been shown in the 1970’s. The NHIM has stable and unstable manifolds which mediate reactions in the sense that they form tubes that channel trajectories from reactants to products and separate them from non-reactive trajectories. The stable and unstable manifolds allow one at least in principle to study key questions in reaction dynamics like the dynamical origin of non-RRKM behaviour and state specific reactivity.

In the present workshop we want to highlight the latest results and discuss future perspectives. This includes the bifurcations of transition states, mechanisms for the break down of Transition State Theory, coupling of reacting systems to a heat bath, dynamical implications of higher index saddles, transition states resulting from relative equilibria, the quantum mechanics of reactions, non-RRKM behaviour, computation of NHIMs and their stable and unstable manifolds, and specific applications.

Special emphasis will be laid on the workshop character of the meeting by leaving ample time for discussions and stimulating collaborations between the participants in addition to presentations on the latest developments in the field.

Notes:

Also see https://sites.google.com/site/tsrcgeometryofreaction/home

This two-week workshop is aimed at having an interdisciplinary meeting that brings together researchers in different fields (from mathematics, chemistry, nonlinear and biological physics) to tackle such new paradigm, and exploring the new, exciting, open questions, by stirring different
disciplines. The time slot for each speaker is about one hour, including thirty minutes of interactive discussions with the audience. The program
through a week is usually not fully occupied and allows the participants to exchange ideas in more detail and think about new possible collaborations during the meeting.

If you are interested in attending a meeting, but have not received an invitation, please contact the workshop organizer about availability before registering. Most TSRC meetings are very small, typically only about 25 people

Meeting Venue:

Telluride Elementary School
447 West Columbia Ave Telluride, CO

Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases Registered Meeting Participants:
Participant Organization
Arenson, Joshua UC Merced
Baecker, Arnd TU Dresden
Bartsch, Thomas Loughborough University
Benito, Rosa Technical University of Madrid
Berry, R. Stephen The University of Chicago
Borondo, Florentino Universidad Autónoma de Madrid
Ciftci, Unver École polytechnique fédérale de Lausanne
Jaffe, Charles West Virginia University
Jung, Christof Universidad Nacional Autonoma de Mexico
Keshavamurthy, Srihari IIT Kanpur
Ketzmerick, Roland Technische Universitat Dresden
Komatsuzaki, Tamiki Hokkaido University
KOON, Wang Sang California Institute of Technology
Leitner, David University of Nevada, Reno
Mitchell, Kevin University of California, Merced
Revuelta, Fabio Universidad Politécnica de Madrid
Taketsugu, Tetsuya Hokkaido University
Teramoto, Hiroshi Hokkaido University
Toda, Mikito Nara Women's University
Waalkens, Holger University of Groningen
Yanao, Tomohiro Waseda University

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