Published September 14, 2022
| Version v1
Dataset
Open
Machine Learning the Hohenberg-Kohn Map to Molecular Excited States
Authors/Creators
- 1. NYU Shanghai, 1555 Century Avenue, Shanghai 200122, China
- 2. Department of Chemistry, New York University, New York, New York 10003, USA
Description
The dataset and code used in paper”Machine Learning the Hohenberg-Kohn Map to Molecular Excited States” For detailed information of each file, see Readme.txt
Notes
WJG acknowledges financial support from the National Natural Science Foundation of China (NSFC), grant no.~22173060), the NSFC Fund for International Excellent Young Scientists (grant no.~22150610466), the Ministry of Science and Technology of the People's Republic of China (MOST) National Foreign Experts Program Fund (grant No.~ QN2021013001L), and the MOST Foreign Young Talents Program (grant no.~WGXZ2022006L). MET acknowledges support from the National Science Foundation (grant no. CHE-1955381). LV-M acknowledges support from the NYU University Research Challenge Fund. This project was supported in whole (or in part) by the NYU Shanghai Boost Fund.
Files
a_num.txt
Files
(27.5 GB)
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md5:ec6cf0169466edebf57c9c3edaa6cfc6
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64 Bytes | Preview Download |
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md5:75e376a958cb1d7c1496f9243cf42460
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401 Bytes | Download |