A metadynamics-based approach to sampling crystallisation events

DOI10.1080/08927020802647280zbMath1170.82333OpenAlexW1988917167WikidataQ62517206 ScholiaQ62517206MaRDI QIDQ3394246

P. M. Rodger, D. Quigley

Publication date: 28 August 2009

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/08927020802647280

zbMATH Keywords

freezingiceLennard-Jonescrystallisationlong timescale

Mathematics Subject Classification ID

Phase transitions (general) in equilibrium statistical mechanics (82B26)

Cites Work

• Adaptive umbrella sampling: Self-consistent determination of the non- Boltzmann bias
• DL_POLY: Application to molecular simulation

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