Quantum Chemistry Programming

To develop Quantum Chemistry Methods, researcher needs a platform which enables robust access to libraries and tools implementing basic state-of-the-art quantum chemistry methods such as Hartree-Fock theory, one- and two-electron integral packages, handling molecular and atomic basis set data etc. During the Project, we utilized the Psi4 Quantum Chemistry software, since it is a perfect platform for developers. In addition, it can be a great tool to educate students about Quantum Chemistry.

Explore our Quantum Chemistry Workshop to get to know more about Psi4, which is the interface to use our own development and educational platform, EOPDev software. Don't worry that the workshop meeting has already finished. We provide all the materials and step-by-step tutorials for all the contents of the workshop, so that you can comfortably go through it wherever you are.

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