MUMBAI, India, Nov. 21 -- Intellectual Property India has published a patent application (202421039027 A) filed by Tata Consultancy Services Limited, Maharashtra, on May 17, 2024, for 'method and system for multiconfigurational downfolding of molecules.'
Inventor(s) include Mukherjee, Anirban; Bhandary, Soham; Banerjee, Ritam; Gopal, Ananthakrishna; and Seshadri, Janani.
The application for the patent was published on Nov. 21, under issue no. 47/2025.
According to the abstract released by the Intellectual Property India: "The present invention generally relates to the field of quantum chemistry, and, more particularly, to a method and system for multiconfigurational downfolding of molecules. Initially a configuration of a molecule is obtained. Then, one or more electron integrals of the molecule are computed partially on the fly on the GPU and tensor factorization of the partially computed electron integrals is performed to obtain tensor factorized representation of the one or more electron integrals. Further, a density matrix of the molecule is computed based on the tensor factorized representation and multiconfigurational Hamiltonian downfolding is performed on orbitals of the molecule based on the density matrix."
Disclaimer: Curated by HT Syndication.
