psicode

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Psi4 is a free and open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular prop...

Latest Videos

Psi4Education How to Contribute to Psi4Education

Psi4Education Determining Structure from Microwave Spectroscopy

Psi4Education Analysis of Basis Sets in Quantum Chemistry Calculations

Psi4Education Machine Learning in Computational Chemistry

Psi4Education Intermolecular Interactions and Symmetry-Adapted Perturbation Theory

Psi4Education WebMO, Psi4, and the Cloud

New Developers Tutorial How to Compile Psi without Compilers

New Developers Tutorial Where in Psi is X

New Developers Tutorial How to Make Simple Changes in Psi4

The Component-Based, Machine-Learned Intermolecular Force Field (CLIFF)

Linear Scaling Coupled-Cluster Methods

DFT Grid Options in Psi4

The New Libint2 Engine

Introduction to the Psi4 distributed driver

Psithon, PsiAPI, and QCSchema Data Paths to Use Psi4

The QCArchive Infrastructure and Psi4

The HelPME Library for Periodic Calculations

Diagrammatic Coupled Cluster Monte Carlo

Multicore and Psi4 (PsiCon20)

Polarizable Embedding in Psi4

The Hellmann-Feynman Theorem, Revisited

Coupled-Cluster-Based Descriptions of Photon-Electron Interactions

Psi4Education general update (PsiCon20)

Introduction to Psi4Education (PsiCon20)

Using Psi4 through Jupyter for teaching

Dataset Generation with Psi4 Fitting Force Fields and Machine Learning Models

Using Psi4 for Crystal Structure Prediction

GPU Computing with Psi4 and BrianQC

Psi4 for beginners

Tour of the Psi4 Project (PsiCon20)