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Your search keyword '"Deringer, Volker L."' showing total 4 results
Start Over Author "Deringer, Volker L." Publication Year Range Last 3 years Publisher royal society of chemistry
4 results on '"Deringer, Volker L."'

2. Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks.

Author

Faure Beaulieu, Zoé, Nicholas, Thomas C., Gardner, John L. A., Goodwin, Andrew L., and Deringer, Volker L.

Subjects
MACHINE learning, TEST validity
Abstract

Zeolitic imidazolate frameworks are widely thought of as being analogous to inorganic AB2 phases. We test the validity of this assumption by comparing simplified and fully atomistic machine-learning models for local environments in ZIFs. Our work addresses the central question to what extent chemical information can be "coarse-grained" in hybrid framework materials. [ABSTRACT FROM AUTHOR]

Published
2023
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