TCBG Seminar

Statistical Mechanics of Tempering Simulations

Dr. Sanghyun Park
Mathematics and Computer Science Division
Argonne National Laboratory
Argonne IL

Tuesday, October 16, 2007
1:00 pm (CT)
3169 Beckman Institute


Simulations of complex systems are often hindered by slow relaxations from local energy minima. One method to overcome this difficulty is tempering, in which one attempts to reduce relaxation times by repeatedly heating and cooling the system. Tempering has been especially popular in biomolecular simulations. In this talk I will introduce two algorithms of tempering: serial (a.k.a. simulated tempering) and parallel (a.k.a. replica exchange or parallel tempering). I will discuss statistical properties of each algorithm and in the end will try to make a case for serial tempering.

Tea and coffee will be served in R3151 Beckman Institute at 2:15pm.

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