/python_quantum_chemistry_introductory

The files used for Series: Quantum chemistry calculations with python

Primary LanguageJupyter Notebook

Quantum Chemistry With Python

The files used for workshop series: Quantum chemistry calculations with python

Recordings

  • Session 1: Molecule input generation Link
  • Session 2: DFT basics Link
  • Session 3: Molecular properties from DFT and TD-DFT Link

License