Kwiseon Kim

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We describe a systematic and efficient method of determining pseudo-atom positions and potentials for use in nano-structure calculations based on bulk empirical pseudopotentials (EPMs). Given a bulk EPM for binary semiconductor X, we produce parameters for pseudo-atoms necessary to passivate a nanostructure of X in preparation for quantum mechanical(More)
The [FeFe] hydrogenases HydA1 and HydA2 in the green alga Chlamydomonas reinhardtii catalyze the final reaction in a remarkable metabolic pathway allowing this photosynthetic organism to produce H(2) from water in the chloroplast. A [2Fe-2S] ferredoxin is a critical branch point in electron flow from Photosystem I toward a variety of metabolic fates,(More)
Researchers at the National Renewable Energy Laboratory and their collaborators have developed over the past ∼10 years a set of algorithms for an atomistic description of the electronic structure of nanostructures, based on plane-wave pseudopotentials and configuration-interaction. The present contribution describes the first step in assembling these(More)
  • A Zunger, A Franceschetti, G Bester, W B Jones, Kwiseon Kim, P A Graf +7 others
  • 2006
The past ~10 years have witnessed revolutionary breakthroughs both in synthesis of quantum dots (leading to nearly monodispersed, defect-free nanostructures) and in characterization of such systems, revealing ultra narrow spectroscopic lines of <1meV width, exposing new intriguing effects, such as multiple exciton generation, fine-structure splitting,(More)
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