Flux tempered metadynamics

DOI10.1007/S10955-011-0301-0MaRDI QIDQ658455zbMATHOpenAlexFDO

Authors Sadanand Singh, Chi-cheng Chiu, Juan José de Pablo

Publication date 12 January 2012

Published in Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10955-011-0301-0

zbMATH Keywords

convergencemetadynamicsround-trip maximization

Mathematics Subject Classification ID

Random walks, random surfaces, lattice animals, etc. in equilibrium statistical mechanics (82B41) Optimality conditions for problems involving relations other than differential equations (49K21)

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Cites work

• Computation of free energy differences through nonequilibrium stochastic dynamics: The reaction coordinate case
• Free energy computations. A mathematical perspective

Cited in

(2)

• Can the pruned-enriched method be used for the simulation of fluids?
• A metadynamics-based approach to sampling crystallisation events

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