Paramus Catalog
HPC Engine LGPL-3.0 Free

PSI4

A modular quantum chemistry suite supporting HF, DFT, MP2, CC, SAPT, and more.

Version1.4
Deliverydocker
Installdocker pull paramus/psi4:latest
Requirementsdocker: True; ram: 8GB; disk: 5GB

Keywords

quantum-chemistryDFTab-initio

Citation

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry