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arXiv · 1005.3104

An on-the-fly approach optimized switching: A special case of free energy simulation under nonequilibrium feedback control

M Ponmurugan
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Abstract

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.

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BibTeXRIS

M Ponmurugan. 2010-06-07. An on-the-fly approach optimized switching: A special case of free energy simulation under nonequilibrium feedback control. https://arxiv.org/abs/1005.3104

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