/tools/QC-DMET
QC-DMET
SebWouters/QC-DMET
47 stars32 forksPythonAdded February 8, 2026
summary
QC-DMET is a Python implementation of density matrix embedding theory designed for ab initio quantum chemistry calculations. It facilitates the study of molecular properties and behaviors through quantum mechanical simulations.
description
QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
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