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20102026
most citedNumerical methods for a Kohn-Sham density functional model based on optimal transport

34 citations · 119 across the 36 of their papers we have counts for

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math.NA2017★ 1 cited

Geometry Equilibration of Crystalline Defects in Quantum and Atomistic Descriptions

Huajie Chen, Faizan Q. Nazar, Christoph Ortner

We develop a rigorous framework for modelling the geometry equilibration of crystalline defects. We formulate the equilibration of crystal defects as a variational problems on a di…