First-principles simulations of a-Si and a-Si:H surfaces.
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Biomedical subjects
DA Drabold
Publications and source records attributed to DA Drabold.
Unconstrained minimization approach for electronic computations that scales linearly with system size.
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Ab initio study of diamond C(100) surfaces.
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Maximum entropy approach for linear scaling in the electronic structure problem.
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Hydrogen and defects in first-principles molecular-dynamics-modeled a-Si:H.
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First-principles local-orbital density-functional study of Al clusters.
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Electronic structure of schwarzite.
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Atomistic origins of light-induced defects in a-Si.
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Defects, tight binding, and first-principles molecular-dynamics simulations on a-Si.
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Finite-temperature properties of amorphous silicon.
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Efficient ab initio molecular-dynamics simulations of carbon.
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Molecular-dynamics simulations of amorphous Si.
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Convergence of force calculations for noncrystalline Si.
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Molecular-dynamics determination of electronic and vibrational spectra, and equilibrium structures of small Si clusters.
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Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2. II. Low ortho-H2 concentration.
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Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2: High ortho-H2 concentration.
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Dipolar broadening in magnetically diluted lattices.
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Easily evaluated expressions for second and fourth moments of resonant absorption spectra for spin systems.
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