Journal
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Volume 45, Issue 16, Pages 5449-5454Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ie0510728
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We present a computational method to identify zeolite-like frameworks by sampling a zeolite figure of merit. Monte Carlo methods, including simulated annealing, are used to perform the sampling. We discuss construction of a database of hypothetical zeolite frameworks with this approach and discuss how the database may be used to search for new zeolite structures with specific material properties of interest.
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