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Projects in Awesome Lists tagged with molecular-integrals

A curated list of projects in awesome lists tagged with molecular-integrals .

https://github.com/frankwswang/quiqbox.jl

Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.

automatic-differentiation basis-set computational-chemistry electronic-structure hartree-fock julia many-body-physics molecular-integrals molecule quantum quantum-chemistry

Last synced: 09 Oct 2024