DoNOF / DoNOFsw Star 28 Code Issues Pull requests Donostia Natural Orbital Functional Software computational-chemistry quantum-chemistry electronic-structure molecular-modeling reduced-density-matrices natural-orbitals natural-orbital-functional Updated May 18, 2026 BASIC
SinaMostafanejad / OpenRDM Star 20 Code Issues Pull requests An open-source library for reduced-density matrix-based analysis and computation density-functional-theory quantum-chemistry electronic-structure strongly-correlated-systems reduced-density-matrices Updated Apr 2, 2023 C++
rigetti / representability Star 8 Code Issues Pull requests Representability is a library to work with linearly constrained mathematical programs over tensors. semidefinite-programming reduced-density-matrices tensor-objects Updated Oct 25, 2018 Python
beddalumia / TurboRDM-ED Star 2 Code Issues Pull requests Fast-trace algorithm to compute reduced density matrices within (cluster) dynamical mean-field theory. Exported to @QcmPlab / CDMFT-LANC-ED. exact-diagonalization dmft reduced-density-matrices density-matrix cdmft Updated Dec 29, 2021 Fortran
cabenav / Machine-Learning-Universal-Bosonic-Functionals Star 1 Code Issues Pull requests Codes for J. Schmidt, M. Fadel and C. Benavides-Riveros, Machine learning universal bosonic functionals, Phys. Rev. Research 3, L032063 (2021). machine-learning-algorithms reduced-density-matrices bosonic-statistics ground-state-energy Updated Sep 8, 2021 Python