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Document type:
Zeitschriftenaufsatz
Author(s):
Thaler, Stephan; Doehner, Gregor; Zavadlav, Julija
Title:
Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls
Journal title:
Journal of Chemical Theory and Computation
Year:
2023
Journal volume:
19
Journal issue:
14
Pages contribution:
4520–4532
Fulltext / DOI:
doi:10.1021/acs.jctc.2c01267
Publisher:
American Chemical Society (ACS)
E-ISSN:
1549-96181549-9626
Date of publication:
04.04.2023
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