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Density functional theory and molecular dynamics studies of the energetics and kinetics of electroactive polymers: PVDF and P(VDF-TrFE)

Physical review. B, Condensed matter and materials physics, 2004-08, Vol.70 (6), p.064101.1-064101.8, Article 064101

2004

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Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments

Physical review. B, Condensed matter, 2003-10, Vol.68 (13), Article 134206

2003

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Phase diagram of MgO from density-functional theory and molecular-dynamics simulations

Physical review. B, Condensed matter, 1999-12, Vol.60 (22), p.15084-15093

1999

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Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: Cu-Ag and Cu-Ni

Physical review. B, Condensed matter, 1999-02, Vol.59 (5), p.3527-3533

1999

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Diffusion and dissociation of neutral divacancies in crystalline silicon

Physical review. B, Condensed matter, 2002-06, Vol.65 (23), Article 233205

2002

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Critical behavior in spallation failure of metals

Physical review. B, Condensed matter, 2001-02, Vol.63 (6), Article 060103

2001

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Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum

Physical review. B, Condensed matter, 2003-07, Vol.68 (1), Article 014104

2003

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Friction anisotropy at Ni(100)/(100) interfaces: Molecular dynamics studies

Physical review. B, Condensed matter, 2002-08, Vol.66 (8), Article 085420

2002

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Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials

Physical review. B, Condensed matter, 2003-04, Vol.67 (14), Article 140101

2003

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Reaction mechanism for fluorine etching of silicon

Physical review. B, Condensed matter, 1987-12, Vol.36 (18), p.9805-9808

1987

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Evidence of hexatic phase formation in two-dimensional Lennard-Jones binary arrays

Physical review. B, Condensed matter, 1996-11, Vol.54 (17), p.12067-12072

1996

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Interstitial-electron model for lattice dynamics in fcc metals

Physical review. B, Condensed matter, 1989-12, Vol.40 (18), p.12155-12163

1989

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Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’ ”

Physical review. B, Condensed matter, 2001-03, Vol.63 (9), Article 096102

2001

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Band structures of II-VI semiconductors using Gaussian basis functions with separable ab initio pseudopotentials: Application to prediction of band offsets

Physical review. B, Condensed matter, 1996-01, Vol.53 (3), p.1377-1387

1996

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Infinite-range Heisenberg model and high-temperature superconductivity

Physical review. B, Condensed matter, 1993-11, Vol.48 (17), p.13002-13017

1993

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Electron-phonon interactions and superconductivity in K3C60

Physical review. B, Condensed matter, 1993-11, Vol.48 (18), p.13959-13970

1993

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Exact solution to a strongly coupled Hubbard model in one dimension for high Tc superconductors

Physical review. B, Condensed matter, 1993, Vol.47 (2), p.1116-1118

1993

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Band structure, magnetic fluctuations, and quasiparticle nature of the two-dimensional three-band Hubbard model

Physical review. B, Condensed matter, 1992-12, Vol.46 (21), p.14317-14320

1992

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Optical spectrum and Jahn-Teller splitting of Cu2+ sites in K2CuF4 based on ab initio studies of (CuF6)4- clusters

Physical review. B, Condensed matter, 1986-01, Vol.33 (2), p.1353-1359

1986

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Core effective potentials for Ga, Ge, and As

Physical review. B, Condensed matter, 1982-01, Vol.25 (4), p.2812-2814

1982

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Density functional theory and molecular dynamics studies of the energetics and kinetics of electroactive polymers: PVDF and P(VDF-TrFE)

Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments

Phase diagram of MgO from density-functional theory and molecular-dynamics simulations

Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: Cu-Ag and Cu-Ni

Diffusion and dissociation of neutral divacancies in crystalline silicon

Critical behavior in spallation failure of metals

Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum

Friction anisotropy at Ni(100)/(100) interfaces: Molecular dynamics studies

Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials

Reaction mechanism for fluorine etching of silicon

Evidence of hexatic phase formation in two-dimensional Lennard-Jones binary arrays

Interstitial-electron model for lattice dynamics in fcc metals

Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’ ”

Band structures of II-VI semiconductors using Gaussian basis functions with separable ab initio pseudopotentials: Application to prediction of band offsets

Infinite-range Heisenberg model and high-temperature superconductivity

Electron-phonon interactions and superconductivity in K3C60

Exact solution to a strongly coupled Hubbard model in one dimension for high Tc superconductors

Band structure, magnetic fluctuations, and quasiparticle nature of the two-dimensional three-band Hubbard model

Optical spectrum and Jahn-Teller splitting of Cu2+ sites in K2CuF4 based on ab initio studies of (CuF6)4- clusters

Core effective potentials for Ga, Ge, and As

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