Telluride Workshop on
The Complexity of Dynamics and Kinetics in Many Dimensions


From Braidal Veil Trail in Telluride.  They are winding, aperiodic
but yet somewhat ordered (for a certain temporal period) to the goal,
reminiscent of what functions are in complex systems.

June 29-July 3 2009
Telluride Intermediate School
Telluride Summer Research Center
Telluride, CO, USA



This workshop focuses on the complexity of dynamics and kinetics in complex systems such as proteins in terms of the underlying multidimensional energy landscape and state-to-state network structure. We aim at having an interdisciplinary meeting that brings researchers together from different fields such as time series analysis, energy landscape, network analysis, and single molecule biophysics. This year, in addition to the new exploration along the perspectives of energy landscapes, and networks in biological systems, we address the related subjects of
  • How can we extract the underlying multidimensional manifolds or structures from limited information such as one or a few observable(s)? If people could access the detailed information of molecular dynamics in terms of computer simulation in the era of Boltzmann and Gibbs, people might have devoted most of their time to reach the ergodic hypothesis in the stream of the actual multivariate data, and even might not have come up with the idea of constructing statistical mechanics. In a sense the development of single molecule measurements might have "shut down" some possible pathways in science. However, it has certainly provided us with a new level of understanding of what a system actually "feels" along the process of an event, something which has been masked so far in ensemble measurements. Nonlinear time series analysis to elucidate the multidimensional manifolds or structures from scalar time series should become crucial for this problem: One of the questions to be addressed is how we can extract the relevant information of the underlying energy landscape and state-to-state network in many-dimension solely from one or a few observable(s) such as time series of the distance between two dye molecules in proteins.
  • How can we extract the meaningful low dimensional structure buried in the many dimensions from the stream of the multivariate data? In the stream of the actual multivariate time-dependent/independent data such as molecular dynamics simulation and genome informatics, to extract the meaningful low dimensional structure from them is one of the most crucial problems in many fields. Principal component analysis is one of the traditional approaches. For instance it has been known that the projection of multidimensional free energy landscapes onto a single coordinate such as the number of native contact misleads us regarding the relevant topology the system actually "sees" in the conformation space. One of the questions to be addressed is how much one can reduce the dimension of the space without losing the important information of the complexity of the system. For multidimensional energy landscapes, the state-to-state network and (transition) disconnectivity graph approaches can be among the possible candidates while the reduction or simplification of the network should still be desirable. In this workshop, we aim at stirring/combining several disciplines in the areas of energy landscape, network, data-mining and linear/nonlinear dimensionality reduction for the understanding of the complexity of dynamics and kinetics in biological and other complex systems from different aspects.
Notes: This Telluride workshop is different from a traditional conference. This workshop is aimed at exploring the new, exciting, open questions, by stirring different disciplines working on different subjects and fields rather than solely to learn about all the wonderful things the participants have already done. Some of the most interesting Telluride workshops have used a format in which the first day or the half of the first day is devoted to setting an agenda of the open topics to be discussed, choosing who should be the formal presenter of each of those topics, and setting the day for each presentation. The material that would, in a traditional conference be presented in a talk, would have been contained in the pre-circulated papers. Then everyone will know the substance of where each subject stands and the focus can be on what needs to be investigated next, and how those things could be approached. We plan to follow this pattern, and will ask the participants to submit one or two papers that they would like the others to see, and to send us a list of the exciting, important open problems that they feel should be discussed at this workshop. This workshop is aimed at focusing on complexity of dynamics and kinetics in chemical reactions from small to large systems in terms of the underlying multidimensional state space structure. We also aim at having the first interdisciplinary meeting bringing researchers in different fields (from mathematics, chemistry, nonlinear and biological physics) together in a working environment.
Participants                 
R. STEPHEN BERRY University of Chicago, USA
HANS FRAUENFELDER Los Alamos National Laboratory, USA
IRINA V. GOPICH National Institutes of Health, USA
TAMIKI KOMATSUZAKI Hokkaido University, Japan
SERGEI V. KRIVOV University of Leeds, UK  
CHUN-BIU LI Hokkaido University, Japan
DMITRII E. MAKAROV University of Texas at Austin, USA
IWAO OHMINE Kyoto University, Japan  
HIROYUKI OIKAWA  Tohoku University, Japan  
NICKOLAY V SHESTOPALOV University of Texas at Austin, USA
PHILIPP SCHUETZ University of Zurich, Switzerland
SATOSHI TAKAHASHI  Tohoku University, Japan  
MIKITO TODA Nara Woman's University, Japan
HAW YANG Princeton University, USAh
 

Workshop dates and venue
The workshop will begin at 8:15 am on Monday, June 29 and end 12:00 pm on Friday, July 3. The workshop will be held at the Telluride Intermediate School (see Map).
Breakfast is served at the workshop location on Monday-Friday at 8am and the talks start at 8:30. You will have access to the internet, faxes, express mail services, and so forth.

Program
June 29 (Mon):

Setting an agenda of the topics to be discussed


June 30 (Tus):

Morning Session:
Pinhead Town Talk at the Conference Center in mountain Village
18:00-19:15
"Water, water everywhere: But do we understand a drop of it?" Iwao Ohmine, Professor of Fukui Institute for Fundamental Chemistry, Kyoto University


July 1 (Wed):
Morning Session:
Afternoon Session:


July 2 (Thu):

Morning Session:
Afternoon Session:


18:00- Picnic provided by TSRC
(Your accompanying persons are also quite welcome to join)



July 3 (Fri):

Morning Session:


Circulation (See Preprints/reprints)


Registration
One can register the workshop via the following web page: http://www.telluridescience.org/registration.htm
(This registration fee is for running our conference at Telluride Science Research Center (TSRC), including using computational facilities and breakfast (a huge variety including hard boiled eggs, ham, bread, pastries, bagels, cheese, juice, coffee, tea) during the workshop)


Telluride Tips & Frequently Asked Questions
please visit here and the travel tips page provided by Douglas J. Tobias .


Organizers

Tamiki Komatsuzaki
Molecule & Life Nonlinear Sciences Laboratory
Research Institute for Electronic Science
Hokkaido University
TEL&FAX +81(11) 706-9434
Email: tamiki@es.hokudai.ac.jp
http://mlns.es.hokudai.ac.jp/

Chun-Biu Li
Molecule & Life Nonlinear Sciences Laboratory
Research Institute for Electronic Science
Hokkaido University
TEL&FAX +81(11) 706-9435
Email:cbli@es.hokudai.ac.jp
http://mlns.es.hokudai.ac.jp/

R. Stephen Berry
Department of Chemistry, and the James-Franck Institute,
University of Chicago, USA
TEL +1-773-702-7021 FAX:+1-773-702-0805
E-mail: berry@uchicago.edu
http://chemistry.uchicago.edu/fac/berry.shtml