Structure of hydrogenated amorphous silicon from ab initio molecular dynamics.
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Biomedical subjects
R Car
Publications and source records attributed to R Car.
Structural, bonding, dynamical, and electronic properties of liquid silicon: An ab initio molecular-dynamics study.
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Surface phonons and dipole activity of Si(111)2 x 1 from ab initio calculations.
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Nitrogen and potential n-type dopants in diamond.
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Binding and diffusion of a Si adatom on the Si(100) surface.
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Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics.
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Structural, electronic, and vibrational properties of Si(111)-2 x 1 from ab initio molecular dynamics.
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Ab initio calculation of properties of carbon in the amorphous and liquid states.
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Atomic structure and bonding in liquid GaAs from Iab-initioP molecular dynamics.
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Liquid arsenic: Comparison of ab initio and pair-potential predictions of molecular structure.
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Thermal expansion of c-Si via ab initio molecular dynamics.
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Bonding and disorder in liquid silicon.
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Carbon: The nature of the liquid state.
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Proton diffusion in crystalline silicon.
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Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation.
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Structural and electronic properties of amorphous carbon.
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Equilibrium structures and finite temperature properties of silicon microclusters from ab initio molecular-dynamics calculations.
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Structural, dynamical, and electronic properties of amorphous silicon: An ab initio molecular dynamics study.
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Journal Article↗