2010/05/18 by Ponmurugan, M
#Biological Physics (physics.bio-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Statistical Mechanics (cond-mat.stat-mech)
paper · doi:10.48550/arxiv.1005.3104
We discuss the optimized switching free energy simulations in an analogy with the systems which are driven under nonequilibrium feedback control. We find an on-the-fly simulation approach of switching optimization is a special case of the nonequilibrium process under feedback control. In this approach, the switching rate is allowed to vary during the simulation and the optimization is done on-the-fly by utilizing the part of the simulation outcomes as the feedback information. In such a case, one should use generalized Jarzynski equality under nonequlilibrium feedback control for free energy calculation instead original Jarzynski equality.