Flux tempered metadynamics

DOI10.1007/S10955-011-0301-0zbMATH Open1252.82011OpenAlexW1994012733MaRDI QIDQ658455FDOQ658455

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

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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)

Cites Work

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

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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