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0000-0001-7223-3696
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Model-informed training data curation for reactive all-atom potentials
(2025) -
- Journal Article
- A1
- open access
Managing expectations and imbalanced training data in reactive force field development : an application to water adsorption on alumina
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A reactive force field for alumina systems
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From ionic surfactants to Nafion through convolutional neural networks
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The total synthesis of (+)-palitantin
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Revision of the enantiotoposelective PLE-catalyzed hydrolysis of cis-5-substituted-1,3-diacyloxycyclohexanes