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He was one of the pioneers of the application of the Korringa–Kohn–Rostoker coherent potential approximation (KKR-CPA) for first-principle calculations of the electronic structure of alloys.
In 2011, she was elected Fellow of the American Physical Society; and she won a Friedrich Wilhelm Bessel Research Award from the Alexander von Humboldt Foundation for developing robust electronic structure methods for open-shell and electronically excited species, and creative use of ab initio theory to understand the chemistry of bimolecules, reaction intermediates, and photoinduced processes.
He has also organized U.S. visits for African physicists including formal meetings and presentations at universities and high-level meetings in Washington, DC with government agencies such as the National Science Foundation, USAID, American Astronomical Society, and United States National Research Council and is on the international advisory panel for the African School on Electronic Structure Methods and Applications.
At Rutgers she has been a major member of the nuclear physics research group working on the tandem Van de Graaff accelerator, as well as a condensed-matter physicist, performing experiments using the Mössbauer effect, by which she investigated the electronic structure of magnetic materials.
Chemical structure refers to both molecular geometry and electronic structure.
Soft X-ray emission spectroscopy, a technique for determining the electronic structure of materials