Quantum Chemistry Code in Rust

Oct 3, 2023

I’m currently writing a quantum chemistry code in Rust on my free time. For the moment it has working RHF, ROHF, RHF/MP2, ROHF/MP2. The implementation of RHF and ROHF/CCSD is in progress… As soon as the interface with Quantum Package will be finished (and clean) I will push it on a Github repository.

Stay tuned !

Rust

Yann Damour

PhD Student in Quantum Chemistry

Third year PhD student in Quantum Chemistry