/tools/python_quantum_chemistry_introductory

python_quantum_chemistry_introductory

vinayak2019/python_quantum_chemistry_introductory

23 stars8 forksJupyter NotebookAdded February 8, 2026
summary

This repository contains files and resources for a workshop series on quantum chemistry calculations using Python. It covers topics such as molecule input generation and the basics of DFT, along with methods to derive molecular properties from quantum mechanical calculations.

description

The files used for Series: Quantum chemistry calculations with python

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