An automated framework for exploring and learning potential-energy surfaces.
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| Title: | An automated framework for exploring and learning potential-energy surfaces. |
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| Authors: | Liu Y; Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK., Morrow JD; Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK., Ertural C; Materials Chemistry Department, Federal Institute for Materials Research and Testing (BAM), Berlin, Germany., Fragapane NL; Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK., Gardner JLA; Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK., Naik AA; Materials Chemistry Department, Federal Institute for Materials Research and Testing (BAM), Berlin, Germany.; Institute of Condensed Matter Theory and Solid-State Optics, Friedrich Schiller University Jena, Jena, Germany., Zhou Y; Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK., George J; Materials Chemistry Department, Federal Institute for Materials Research and Testing (BAM), Berlin, Germany. janine.george@bam.de.; Institute of Condensed Matter Theory and Solid-State Optics, Friedrich Schiller University Jena, Jena, Germany. janine.george@bam.de., Deringer VL; Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK. volker.deringer@chem.ox.ac.uk. |
| Source: | Nature communications [Nat Commun] 2025 Aug 18; Vol. 16 (1), pp. 7666. Date of Electronic Publication: 2025 Aug 18. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 2041-1723 |
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| DOI: | 10.1038/s41467-025-62510-6 |
