A cluster expansion model for predicting activation barrier of atomic processes

DOI10.1016/J.JCP.2013.03.005MaRDI QIDQ347666zbMATH OpenOpenAlexFDO

Authors Tafizur Rehman, M. Jaipal, Abhijit Chatterjee

Publication date 5 December 2016

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

Full work available at URL https://doi.org/10.1016/j.jcp.2013.03.005

zbMATH Keywords

activation energiesatomic processescluster expansionsdiffusionMonte Carlo

Mathematics Subject Classification ID

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Cited in

(1)

• Quantifying uncertainties in first-principles alloy thermodynamics using cluster expansions

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