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- Title:
Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls
- Document type:
- Zeitschriftenaufsatz
- Author(s):
- Thaler, Stephan; Doehner, Gregor; Zavadlav, Julija
- 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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