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kohn-sham

Here are 2 public repositories matching this topic...

DFTK.jl

JuliaMolSim / DFTK.jl

Density-functional toolkit

toolkit julia density-functional-theory computational-chemistry mathematical-analysis materials-science ab-initio numerical-analysis electronic-structure plane-wave kohn-sham

Updated Feb 6, 2026
Julia

Theozeud / AtomicKohnSham

Solver to compute the groundstate of atoms and ions formulated in the Extended-Kohn-Sham framework.

julia density-functional-theory computational-chemistry ions atoms finite-element-methods kohn-sham

Updated Feb 5, 2026
Julia

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