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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
  • 1 - 1 out of 1