Calculations of reaction coordinates or order parameters are at the core of many computational studies. Simulation studies of kinetics and/or equilibrium in chemistry and biochemistry
strongly rely on the availability of reaction coordinates. However, order parameters are also found in condensed matter physics, biology, and investigation of the dynamics of evolutionary processes.
We believe that recent advances in path searches and path calculations in different communities (applied mathematics, chemistry, and physics) make such a meeting highly desirable. In this meeting, an effective exchange of
ideas can be possible, overcoming certain âlanguageâ barriers between disciplines. Furthermore, since path-finding algorithms has not yet made it to textbooks, this workshop can also serve as an introduction of this technology to graduate students and postdoctoral fellows. Finally, we feel
that the field can use clearly defined benchmarks so the quality of new technologies could be more readily assessed. We therefore propose the following tentative outline:
1. Finding minimum energy paths, local and global approaches
2. Determination of free energy paths by direct approaches
3. Generating an ensemble of reactive trajectories and relationship to reaction paths.
4. Applications and benchmarks
FYI some general info about housing:
TSRC offers a wide range of lodging options. Single bedroom
accommodations with kitchen start at $675/week, and 2- and 3-bedroom condos start at $970 and $1160/week,
respectively. Some condos have 2 beds per bedroom, or also have a loft, which may be a good option for students and postdocs or anyone looking to save money. Condos range from Basic or Value to Luxury depending upon your preferences. TSRC also offers excellent hotel rooms through Camel's Garden Hotel and Ice House, with daily maid-service and other hotel style amenities.
If you wish to share a condo with one or more other TSRC participants, you should work this out in advance of registering. In particular, one person should be designated as the head roommate. The person chosen head
roommate must register first as the head roommate. Then the other roommates register, indicating the name of the head roommate. f you need email addresses of the other invited participants, contact your workshop organizer.
Telluride Intermediate School
725 West Colorado
Telluride CO 81435
Participant | Organization | ||||
Cadilhe, Antonio | Theoretical Division, T-12, Los Alamos National La | ||||
Cardenas, Alfredo | University of South Florida | ||||
Chen, Liao | University of Texas at San Antonio | ||||
Clementi, Cecilia | Rice University | ||||
Dickson, Brad | University of Texas at Austin | ||||
Dinner, Aaron | The University of Chicago | ||||
Elber, Ron | University of Texas-Austin | ||||
Fejer, Szilard | University of Cambridge | ||||
Fichthorn, Kristen | Penn State University | ||||
Huo, Shuanghong | Clark University | ||||
Kirmizialtin, Serdal | The University of Texas | ||||
Makarov, Dmitrii | University of Texas at Austin | ||||
Perez, Danny | Theoretical Division T-12, Los Alamos National Lab | ||||
Quaytman, Sara | Albert Einstein College of Medicine | ||||
Schwartz, Steven | Dept. of Biophysics | ||||
Vanden-Eijnden, Eric | Courant Institute | ||||
Voter, Art | Los Alamos National Laboratory | ||||
Wales, David | Cambridge University | ||||
Yaliraki, Sophia | Imperial College London | ||||
Zuckerman, Daniel | University of Pittsburgh | ||||
[CLONE] Clementi, Cecilia | Rice University | ||||
[CLONE] Elber, Ron | University of Texas-Austin | ||||
[CLONE] Fichthorn, Kristen | Penn State University | ||||
[CLONE] Kirmizialtin, Serdal | The University of Texas | ||||
[CLONE] Makarov, Dmitrii | University of Texas at Austin | ||||