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casdmet

The modified QC-DMET to use with CASSCF solver (CASDMET)

hello-world

Learning how to manage github repositories

las-qpe

las-uscc

Contains modified mrh, LAS-USCC scripts and QLAS-USCC

leetcode

Python & JAVA Solutions for Leetcode

libdmet_preview

A library of density matrix embedding theory (DMET).

mcu

Modeling and Crystallographic Utilities

mrh

MRH's research code

my-first-binder

mypdmet

openmolcas

The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry software package. The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.

openqemist

The open-source portion of the QEMIST package developed at 1QBit

pdmet

Density matrix embedding theory for periodic systems

pdmet1

pyscf

Python module for quantum chemistry

pywannier90

A Wannier90 python interface for VASP and PySCF

qbraid-lab-demo

Notebooks demonstrating how to use qBraid Lab to streamline quantum workflows, connect to quantum hardware, and leverage GPU-enabled scalable compute for hybrid algorithms.

qc-cudaq

qc-dmet

QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry

qiskit-terra

Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and algorithms.

quick

QUICK: A GPU-enabled ab intio quantum chemistry software package

uscc

Unitary selective coupled cluster method for quantum chemistry on quantum computers