Projects in Awesome Lists tagged with quantum-chemistry-methods
A curated list of projects in awesome lists tagged with quantum-chemistry-methods .
https://github.com/qcscine/qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
chemistry computational-chemistry quantum-chemistry quantum-chemistry-methods
Last synced: 20 Dec 2024
https://github.com/pfloos/QuAcK
QuAcK: a software for emerging quantum electronic structure methods
computational-chemistry coupled-cluster density-functional-theory electronic-structure electronic-structure-calculations greens-functions hartree-fock many-body-perturbation-theory n-body-problem perturbation-theory quantum-chemistry quantum-chemistry-methods quantum-chemistry-packages quantum-chemistry-programs quantum-mechanics
Last synced: 20 Nov 2024
https://github.com/aromanro/vqmcmolecule
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
computational computational-physics fokker-planck langevin physics quantum quantum-chemistry quantum-chemistry-methods quantum-chemistry-programs quantum-mechanics quantum-monte-carlo variational-monte-carlo wxwidgets wxwidgets-applications
Last synced: 18 Mar 2025
https://github.com/qcscine/nevpt2
QD-NEVPT2 program originally by Angeli, Cimiraglia and Malrieu with QCMaquis DMRG, Cholesky decomposition of integrals and OpenMOLCAS interface support. To be installed and run from OpenMolcas.
chemistry computational-chemistry quantum-chemistry quantum-chemistry-methods
Last synced: 19 Feb 2025