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Deep learning for strongly correlated systems in quantum chemistry (GJ19-13126Y)
In this project, we plan to develop the algorithm mapping a structure to properties at domain-based local pair natural orbitals (DLPNO) multireference coupled cluster (DLPNO-MRCC) level and DLPNO tailored coupled cluster (DLPNO-TCC) level corrected b...
Physical chemistry
- 2019 - 2023 •
- 5 930 tis. Kč •
- 5 884 tis. Kč •
- GA ČR
Řešení projektu: 1. 1. 2019 - 31. 12. 2023
Uznané náklady
Podpora ze státního rozpočtu (99%)
Poskytovatel: Grantová agentura České republiky
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