Novel inorganic crystal structures predicted using autonomous simulation agents
Measurement(s) energy above hull Technology Type(s) density functional theory
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-06-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-022-01438-8 |
| _version_ | 1818237391577546752 |
|---|---|
| author | Weike Ye Xiangyun Lei Muratahan Aykol Joseph H. Montoya |
| author_facet | Weike Ye Xiangyun Lei Muratahan Aykol Joseph H. Montoya |
| author_sort | Weike Ye |
| collection | DOAJ |
| description | Measurement(s) energy above hull Technology Type(s) density functional theory |
| first_indexed | 2024-12-12T12:25:01Z |
| format | Article |
| id | doaj.art-707218948a4441efbba7e2ac679fa11f |
| institution | Directory Open Access Journal |
| issn | 2052-4463 |
| language | English |
| last_indexed | 2024-12-12T12:25:01Z |
| publishDate | 2022-06-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Data |
| spelling | doaj.art-707218948a4441efbba7e2ac679fa11f2022-12-22T00:24:34ZengNature PortfolioScientific Data2052-44632022-06-01911910.1038/s41597-022-01438-8Novel inorganic crystal structures predicted using autonomous simulation agentsWeike Ye0Xiangyun Lei1Muratahan Aykol2Joseph H. Montoya3Toyota Research Institute, Energy and Materials DivisionToyota Research Institute, Energy and Materials DivisionToyota Research Institute, Energy and Materials DivisionToyota Research Institute, Energy and Materials DivisionMeasurement(s) energy above hull Technology Type(s) density functional theoryhttps://doi.org/10.1038/s41597-022-01438-8 |
| spellingShingle | Weike Ye Xiangyun Lei Muratahan Aykol Joseph H. Montoya Novel inorganic crystal structures predicted using autonomous simulation agents Scientific Data |
| title | Novel inorganic crystal structures predicted using autonomous simulation agents |
| title_full | Novel inorganic crystal structures predicted using autonomous simulation agents |
| title_fullStr | Novel inorganic crystal structures predicted using autonomous simulation agents |
| title_full_unstemmed | Novel inorganic crystal structures predicted using autonomous simulation agents |
| title_short | Novel inorganic crystal structures predicted using autonomous simulation agents |
| title_sort | novel inorganic crystal structures predicted using autonomous simulation agents |
| url | https://doi.org/10.1038/s41597-022-01438-8 |
| work_keys_str_mv | AT weikeye novelinorganiccrystalstructurespredictedusingautonomoussimulationagents AT xiangyunlei novelinorganiccrystalstructurespredictedusingautonomoussimulationagents AT muratahanaykol novelinorganiccrystalstructurespredictedusingautonomoussimulationagents AT josephhmontoya novelinorganiccrystalstructurespredictedusingautonomoussimulationagents |