Overcoming Energetic and Time Scale Barriers Using the Potential Energy Surface

DOI10.1007/3-540-31618-3_5zbMath1207.82029OpenAlexW2212775801MaRDI QIDQ5484134

Tim James, Joanne M. Carr, D. J. Wales

Publication date: 24 August 2006

Published in: New Algorithms for Macromolecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/3-540-31618-3_5

zbMATH Keywords

rare eventsbasin-hoppingglobal optimisationenergy landscapesdiscrete path sampling

Mathematics Subject Classification ID

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