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Supersymmetric Langevin equation to explore free energy landscapes

Alessandro Mossa·Cecilia Clementi
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Abstract

The recently discovered supersymmetric generalizations of Langevin dynamics and Kramers equation can be utilized for the exploration of free energy landscapes of systems whose large time-scale separation hampers the usefulness of standard molecular dynamics techniques. The first realistic application is here presented. The system chosen is a minimalist model for a short alanine peptide exhibiting a helix-coil transition.

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Alessandro Mossa, Cecilia Clementi. 2007-02-16. Supersymmetric Langevin equation to explore free energy landscapes. https://doi.org/10.1103/physreve.75.046707

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