Qbox
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Related Items (5)
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines ⋮ A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix ⋮ A scalable and accurate algorithm for the computation of Hartree-Fock exchange ⋮ Real-time adaptive finite element solution of time-dependent Kohn-Sham equation ⋮ Numerical methods for Kohn–Sham density functional theory
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