Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2021-01-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.0c04981 |
| _version_ | 1818721199823257600 |
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| author | Shuo Ma Yingjin Ma Baohua Zhang Yingqi Tian Zhong Jin |
| author_facet | Shuo Ma Yingjin Ma Baohua Zhang Yingqi Tian Zhong Jin |
| author_sort | Shuo Ma |
| collection | DOAJ |
| first_indexed | 2024-12-17T20:34:56Z |
| format | Article |
| id | doaj.art-6958ca992b9644debab2fab449b14111 |
| institution | Directory Open Access Journal |
| issn | 2470-1343 |
| language | English |
| last_indexed | 2024-12-17T20:34:56Z |
| publishDate | 2021-01-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj.art-6958ca992b9644debab2fab449b141112022-12-21T21:33:28ZengAmerican Chemical SocietyACS Omega2470-13432021-01-01632001202410.1021/acsomega.0c04981Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and CheminformaticsShuo Ma0Yingjin Ma1Baohua Zhang2Yingqi Tian3Zhong Jin4Computer Network Information Center, Chinese Academy of Sciences, Beijing, ChinaComputer Network Information Center, Chinese Academy of Sciences, Beijing, ChinaComputer Network Information Center, Chinese Academy of Sciences, Beijing, ChinaComputer Network Information Center, Chinese Academy of Sciences, Beijing, ChinaComputer Network Information Center, Chinese Academy of Sciences, Beijing, Chinahttps://doi.org/10.1021/acsomega.0c04981 |
| spellingShingle | Shuo Ma Yingjin Ma Baohua Zhang Yingqi Tian Zhong Jin Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics ACS Omega |
| title | Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics |
| title_full | Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics |
| title_fullStr | Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics |
| title_full_unstemmed | Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics |
| title_short | Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics |
| title_sort | forecasting system of computational time of dft tddft calculations under the multiverse ansatz via machine learning and cheminformatics |
| url | https://doi.org/10.1021/acsomega.0c04981 |
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