Entropy-based active learning of graph neural network surrogate models for materials properties.
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| Title: | Entropy-based active learning of graph neural network surrogate models for materials properties. |
|---|---|
| Authors: | Allotey J; School of Physics, University of Bristol, Bristol BS8 1TL, United Kingdom., Butler KT; Scientific Machine Learning Research Group, Scientific Computing Department, Rutherford Appleton Laboratory, Science and Technology Facilities Council, Didcot OX11 0DQ, United Kingdom., Thiyagalingam J; Scientific Machine Learning Research Group, Scientific Computing Department, Rutherford Appleton Laboratory, Science and Technology Facilities Council, Didcot OX11 0DQ, United Kingdom. |
| Source: | The Journal of chemical physics [J Chem Phys] 2021 Nov 07; Vol. 155 (17), pp. 174116. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 34742215 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Entropy-based active learning of graph neural network surrogate models for materials properties. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Allotey+J%22">Allotey J</searchLink>; School of Physics, University of Bristol, Bristol BS8 1TL, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Butler+KT%22">Butler KT</searchLink>; Scientific Machine Learning Research Group, Scientific Computing Department, Rutherford Appleton Laboratory, Science and Technology Facilities Council, Didcot OX11 0DQ, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Thiyagalingam+J%22">Thiyagalingam J</searchLink>; Scientific Machine Learning Research Group, Scientific Computing Department, Rutherford Appleton Laboratory, Science and Technology Facilities Council, Didcot OX11 0DQ, United Kingdom. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%220375360%22">The Journal of chemical physics</searchLink> [J Chem Phys] 2021 Nov 07; Vol. 155 (17), pp. 174116. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Institute+of+Physics%22">American Institute of Physics </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>0375360 <i>Publication Model: </i>Print <i>Cited Medium: </i>Internet <i>ISSN: </i>1089-7690 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2200219606%22">00219606 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=34742215 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1063/5.0065694 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 174116 Titles: – TitleFull: Entropy-based active learning of graph neural network surrogate models for materials properties. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Allotey J – PersonEntity: Name: NameFull: Butler KT – PersonEntity: Name: NameFull: Thiyagalingam J IsPartOfRelationships: – BibEntity: Dates: – D: 07 M: 11 Text: 2021 Nov 07 Type: published Y: 2021 Identifiers: – Type: issn-electronic Value: 1089-7690 Numbering: – Type: volume Value: 155 – Type: issue Value: 17 Titles: – TitleFull: The Journal of chemical physics Type: main |
| ResultId | 1 |
