Institute for Mathematical Sciences Event Archive
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Workshop on Modeling Rare Events in Complex Physical Systems
(5 - 8 November 2013)
Organizing Committee · Visitors and Participants · Overview · Activities · Venue
- Weinan E (Peking University and Princeton University)
- Weiqing Ren (National University of Singapore and Institute of High Performance Computing, A*STAR)
The dynamics of complex systems is often driven by rare but important events. Well-known examples include conformational changes of bio-molecules, chemical reactions, nucleation events during phase transitions, etc. Typically a small amount of noise is present in the system, and it is this that drives these rare events. The long time scale associated with these rare events is a consequence of the disparity between the effective thermal energy and typical energy barrier of the system. The dynamics proceeds by long waiting periods around metastable states followed by sudden jumps from one state to another.
Sophisticated theory and numerical techniques have been developed to find the transition pathways and transition rates between metastable states in complex systems for which the mechanism of transition is not known beforehand. The aim of this workshop is to bring together researchers working on rare events and related problems, as well as young researchers interested in this area, to foster learning, exchange of ideas and collaboration, and to promote further progress in our understanding of the subject matter.
Topics to be covered in the workshop include, but not restricted to: mathematical theory for modeling rare events, numerical methods for computing transition paths and transition rates, saddle point search, and applications to applied sciences.
Tuesday, 5 Nov 2013 |
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08:50am - 09:00am |
Registration |
09:00am - 09:10am |
Opening Remarks |
09:10am - 12:10pm |
Tutorial on
Modeling of reactive events |
12:10pm - 02:00pm |
--- Lunch Reception at IMS --- |
02:00pm - 02:40pm |
Theory of transition path process (PDF) |
02:40pm - 03:20pm |
Finite temperature analysis of stochastic networks (PDF) |
03:20pm - 03:40pm |
--- Coffee Break --- |
03:40pm - 04:20pm |
Constructing the energy landscape of the genetic switching driven by intrinsic noise |
04:20pm - 05:00pm |
Computing rare event properties by discretization and optimal control (PDF) |
Wednesday, 6 Nov 2013 |
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08:50am - 09:00am |
Registration |
09:00am - 09:40am |
Repository based adaptive umbrella sampling |
09:40am - 10:20am |
Multi-step multi-target umbrella sampling and its application in trans-membrane permeation of ions |
10:20am - 10:40am |
--- Coffee Break --- |
10:40am - 11:20am |
Analysis and simulation of multiscale intracellular bio-chemical reacting networks |
11:20am - 12:00nn |
Simulating rare events in biomolecules via temperature accelerated molecular dynamics |
12:00nn - 02:00pm |
--- Lunch --- |
02:00pm - 05:00pm |
Tutorial on Exploring energy landscapes: from molecules to nanodevices |
06:30pm |
Dinner (Self-paid) |
Thursday, 7 Nov 2013 |
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08:50am - 09:00am |
Registration |
09:00am - 09:40am |
An iterative minimization scheme for saddle search |
09:40am - 10:20am |
Fast algorithms for transition state calculations |
10:20am - 10:40am |
--- Coffee Break --- |
10:40am - 11:20am |
Stochastic surface walking method and beyond |
11:20am - 12:00nn |
Computation of saddle point and its application on materials and biology (PPT) |
12:00nn - 02:00pm |
--- Lunch --- |
02:00pm - 02:40pm |
Hybrid parallel minimum action method and its applications |
02:40pm - 03:20pm |
A large deviation framework to analyze metastable behavior in climate systems (PDF) |
03:20pm - 03:40pm |
--- Coffee Break --- |
03:40pm - 04:20pm |
Droplet motion driven by liquid-vapor transition at three-phase contact line (PDF) |
04:20pm - 05:00pm |
Multiscale-based ideas for path sampling (PDF) |
Friday, 8 Nov 2013 |
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08:50am - 09:00am |
Registration |
09:00am - 09:40am |
Rare events in dislocation dynamics using generalized Peierls-Nabarro model |
09:40am - 10:20am |
The application of the string method to the dislocation dynamics |
10:20am - 10:40am |
--- Coffee Break --- |
10:40am - 11:20am |
Investigation conformational changes of biological macromolecules using kinetic network models (PDF) |
11:20am - 12:00nn |
The climbing string method for saddle point search |
12:00nn - 02:00pm |
--- Lunch --- |
02:00pm - 05:00pm |
Free Discussion |
Students and researchers who are interested in attending these activities are requested to complete the online registration form.
The following do not need to register:
- Those invited to participate.
Organizing Committee · Visitors and Participants · Overview · Activities · Venue
