Real-space multigrid-based approach to large-scale electronic structure calculations.
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Biomedical subjects
J Bernholc
Publications and source records attributed to J Bernholc.
Theory of carbon nanotube growth.
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Large-scale electronic-structure calculations with multigrid acceleration.
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Towards the identification of the dominant donor in GaN.
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Ab initio studies of the diffusion barriers at single-height Si(100) steps.
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Native defects in gallium nitride.
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Fluorine-based mechanisms for atomic-layer-epitaxial growth on diamond (110).
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Surface structures and electron affinities of bare and hydrogenated diamond C(100) surfaces.
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Growth energetics of carbon nanotubes.
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Negative-electron-affinity effects on the diamond (100) surface.
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Structure of monatomic steps on the Si(001) surface.
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Si diffusion in GaAs and Si-induced interdiffusion in GaAs/AlAs superlattices.
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Reactivity, stability, and formation of fullerenes.
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Structure and energetics of single and multilayer fullerene cages.
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AsGa-XI complexes as models for the EL2 center in GaAs.
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Atomic structure and doping of microtubules.
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Theory of Zn-enhanced disordering in GaAs/AlAs superlattices.
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Precursors to C60 fullerene formation.
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