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Nathan Keilbart

As seen in: Nature, ACS Publications, Royal Society of Chemistry
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Articles

Active learning enables generation of molecules that advance the known Pareto front - npj Computational Materials

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By Evan R. Antoniuk, PEGGY LI, Nathan Keilbart, Stephen E. Weitzner, Bhavya Kailkhura, Anna M. Hiszpanski
| Nature Verified
Abstract Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the properties of the structures represented in the training distribution. We find that this limitation arises not only from the molecule generation process itself, but also from the poor generalization capabilities of molecular property predictors.
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Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

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By Jonas L. Kaufman, Kenneth Smith, Tae Wook Heo, Nathan Keilbart
| dx.doi.org
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Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

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By Jonas L. Kaufman, Kenneth Smith, Tae Wook Heo, Nathan Keilbart
| ACS Publications
Cite Jump to ExpandCollapse ArticleNovember 10, 2025 Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation Click to copy article linkArticle link copied! Jonas L. Kaufman Jonas L. Kaufman Laboratory for Energy Applications for the Future (LEAF) and Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States Kenneth D. Smith Kenneth D.
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