Boes JR - Search Results

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Catalysis-Hub.org, an open electronic structure database for surface reactions.

Winther KT, Hoffmann MJ, Boes JR, Mamun O, Bajdich M, Bligaard T. Winther KT, et al. Among authors: boes jr. Sci Data. 2019 May 28;6(1):75. doi: 10.1038/s41597-019-0081-y. Sci Data. 2019. PMID: 31138816 Free PMC article.

High-throughput calculations of catalytic properties of bimetallic alloy surfaces.

Mamun O, Winther KT, Boes JR, Bligaard T. Mamun O, et al. Among authors: boes jr. Sci Data. 2019 May 28;6(1):76. doi: 10.1038/s41597-019-0080-z. Sci Data. 2019. PMID: 31138814 Free PMC article.

Graph Theory Approach to High-Throughput Surface Adsorption Structure Generation.

Boes JR, Mamun O, Winther K, Bligaard T. Boes JR, et al. J Phys Chem A. 2019 Mar 21;123(11):2281-2285. doi: 10.1021/acs.jpca.9b00311. Epub 2019 Mar 8. J Phys Chem A. 2019. PMID: 30802053

Low-Scaling Algorithm for Nudged Elastic Band Calculations Using a Surrogate Machine Learning Model.

Garrido Torres JA, Jennings PC, Hansen MH, Boes JR, Bligaard T. Garrido Torres JA, et al. Among authors: boes jr. Phys Rev Lett. 2019 Apr 19;122(15):156001. doi: 10.1103/PhysRevLett.122.156001. Phys Rev Lett. 2019. PMID: 31050513

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