Friday - January 21, 2011
Jaegil Kim - Sr. Postdoctoral Associate
"Enhanced Sampling Algorithms
for Complex Energy Landscape Systems"
In this talk, various enhanced
sampling algorithms targeted to accelerate the
convergence of Monte Carlo and molecular dynamics
simulations in complex energy landscapes will
be outlined with applications to model proteins,
atomic clusters, and statistical spin models.
A synergistic combination of the generalized
ensemble sampling with the replica exchange
and simulated tempering scheme, particularly
suited to strong phase transitions, will be
discussed with an emphasis on its ability of
directly sampling phase-mixed configurations
in spin systems.