/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

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!