Free energy computation by controlled Langevin dynamics

Procedia Computer Science

Volumn 1, Issue 1, 2010, Pages 1597-1606

  Latorre, Juan C ^a   Hartmann, Carsten ^a   Schütte, Christof ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Free energy sampling; Jarzynski's identity; Optimal control; Stochastic Langevin dynamics

Indexed keywords

EQUATIONS OF MOTION; HAMILTONIANS; NUMERICAL METHODS; STOCHASTIC SYSTEMS;

DISSIPATIVE HAMILTONIAN SYSTEM; FEYNMAN-KAC FORMULA; FREE ENERGY COMPUTATIONS; JARZYNSKI'S IDENTITY; LANGEVIN DYNAMICS; OPTIMAL CONTROLS; REACTION COORDINATES; STOCHASTIC PERTURBATIONS;

FREE ENERGY;

EID: 78650289047     PISSN: None     EISSN: 18770509     Source Type: Conference Proceeding    
DOI: 10.1016/j.procs.2010.04.179     Document Type: Conference Paper

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