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Using Machine Learning Potentials to Explore Interdiffusion at Metal-Chalcogenide Interfaces.
ACS Appl Mater Interfaces. 2022 Dec 28;14(51):56963-56974. doi: 10.1021/acsami.2c16254. Epub 2022 Dec 14.
ACS Appl Mater Interfaces. 2022.
PMID: 36515688
Machine Learning Electron Density Prediction Using Weighted Smooth Overlap of Atomic Positions.
Achar SK, Bernasconi L, Johnson JK.
Achar SK, et al.
Nanomaterials (Basel). 2023 Jun 13;13(12):1853. doi: 10.3390/nano13121853.
Nanomaterials (Basel). 2023.
PMID: 37368284
Free PMC article.
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In Silico Demonstration of Fast Anhydrous Proton Conduction on Graphanol.
Achar SK, Bernasconi L, DeMaio RI, Howard KR, Johnson JK.
Achar SK, et al.
ACS Appl Mater Interfaces. 2023 May 31;15(21):25873-25883. doi: 10.1021/acsami.3c04022. Epub 2023 May 16.
ACS Appl Mater Interfaces. 2023.
PMID: 37192530
Free PMC article.
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Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66.
Achar SK, Wardzala JJ, Bernasconi L, Zhang L, Johnson JK.
Achar SK, et al.
J Chem Theory Comput. 2022 Jun 14;18(6):3593-3606. doi: 10.1021/acs.jctc.2c00010. Epub 2022 Jun 2.
J Chem Theory Comput. 2022.
PMID: 35653218
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