Psi4

Psi4 is a python-based open source quantum chemistry package developed by the Sherrill group at Georgia Tech.

Create an accountor login with Google or your University to get access to the full functionality of ChemCompute, including saving experiment submissions.

How does Psi4 work?

  1. Skip right to submitting a job

OR:

  1. Pick an experiment below
  2. Read the Background Theory
  3. Complete the Prelab
  4. Start the lab experiment or select Submit (Guided. Instructions appear on the left side of the screen.
  5. If you are logged in your jobs are saved in your dashboard. Otherwise make sure to write down your job number.
  6. You can read for more detailed instructions by Laine Berghout (Weber State)

PSI4 Experiments (0)