Parrinello

发表

Thermal expansion of c-Si via ab initio molecular dynamics.

Car, Búda, Parrinello, 1990, Physical review. B, Condensed matter.

Unified approach for molecular dynamics and density-functional theory.

Car, Parrinello, M. Parrinello, 1985, Physical review letters.

Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation.

Baroni, Car, Parrinello, 1989, Physical review. B, Condensed matter.

Large scale electronic structure calculations.

Galli, Parrinello, M. Parrinello, 1992, Physical review letters.

Adiabaticity in first-principles molecular dynamics.

Parrinello, M. Parrinello, Blöchl, 1992, Physical review. B, Condensed matter.

Ab initio Molecular Dynamics Simulation of Laser Melting of Silicon.

Alavi, Parrinello, Frenkel, 1996, Physical review letters.

Localization, hopping, and diffusion of electrons in molten salts.

Carnevali, Car, P. Carnevali, 1987, Physical review letters.

Ab initio simulation of phase transitions and dissociation of H2S at high pressure

Parrinello, K. Terakura, Bernasconi, 2000, Physical review letters.

Structure of nanoscale silicon clusters.

Andreoni, Parrinello, Röthlisberger, 1994, Physical review letters.

Ab initio molecular dynamics with a classical pressure reservoir: simulation of pressure-induced amorphization in a Si35H36 cluster

Parrinello, Martonak, Molteni, 2000, Physical review letters.

Structural and electronic properties of amorphous carbon.

Martin, Car, Galli, 1989, Physical review letters.

Microscopic structure of tetrahedral amorphous carbon.

Mckenzie, Marks, Parrinello, 1996, Physical review letters.

Ionic Diffusion in a Ternary Superionic Conductor: An Ab Initio Molecular Dynamics Study.

Andreoni, Parrinello, Wengert, 1996, Physical review letters.

Optical properties of porous silicon: A first-principles study.

Parrinello, Buda, Kohanoff, 1992, Physical review letters.

Ab initio studies on the structural and dynamical properties of ice.

Lee, Car, D. Vanderbilt, 1993, Physical review. B, Condensed matter.

Ab initio molecular dynamics with excited electrons.

Alavi, Parrinello, Frenkel, 1994, Physical review letters.

Amorphous silicon studied by ab initio molecular dynamics: Preparation, structure, and properties.

Car, Parrinello, Stich, 1991, Physical review. B, Condensed matter.

Two-membered silicon rings on the dehydroxylated surface of silica

Ceresoli, Parrinello, Tosatti, 2000, Physical review letters.

Ab initio simulations of tetrahedral amorphous carbon.

Mckenzie, Marks, Parrinello, 1996, Physical review. B, Condensed matter.

Nonmetal-metal transition in metal-molten-salt solutions.

Alavi, Parrinello, Frenkel, 1996, Physical review. B, Condensed matter.

Molecular structure and chemical bonding in K3C60 and K6C60.

Andreoni, Parrinello, Giannozzi, 1995, Physical review. B, Condensed matter.

Ab initio studies on high pressure phases of ice.

Lee, Car, Parrinello, 1992, Physical review letters.

Hydrolysis at stepped MgO surfaces.

Parrinello, Langel, 1994, Physical review letters.

Doping-induced distortions and bonding in K6C60 and Rb6C60.

Andreoni, F. Gygi, Parrinello, 1992, Physical review letters.

Approach to metallic behavior in metal-molten-salt solutions.

Parrinello, Selloni, Fois, 1989, Physical review. B, Condensed matter.

Electronic and vibrational properties of C60 at finite temperature from ab initio molecular dynamics.

Andreoni, Parrinello, Clementi, 1991, Physical review. B, Condensed matter.

Electronic and geometric structure of La C82 and C82: Theory and experiment.

Weaver, Andreoni, Kikuchi, 1994, Physical review. B, Condensed matter.

Gauge-invariant top quark form factors from e+e- experiments.

Parrinello, Papavassiliou, 1993, Physical review. D, Particles and fields.

Soft covariant gauges on the lattice.

Oliveira, Ryan, Parrinello, 1996, Physical review. D, Particles and fields.

Global gauge fixing in lattice gauge theories.

Fachin, Parrinello, 1991, Physical review. D, Particles and fields.

Exploratory study of the three-gluon vertex on the lattice.

Parrinello, 1994, Physical review. D, Particles and fields.

Bonding and disorder in liquid silicon.

Car, Parrinello, Stich, 1989, Physical Review Letters.

Carbon: The nature of the liquid state.

Car, Galli, Parrinello, 1989, Physical Review Letters.

Au(100) surface reconstruction.

Parrinello, Ercolessi, Tosatti, 1986, Physical review letters.

New high-pressure phase of ice.

Parrinello, M. Parrinello, M. Benoit, 1996, Physical review letters.

Structural, bonding, dynamical, and electronic properties of liquid silicon: An ab initio molecular-dynamics study.

Car, Parrinello, Stich, 1991, Physical Review B (Condensed Matter).

Atomic structure and bonding in liquid GaAs from Iab-initioP molecular dynamics.

Zhang, Car, Parrinello, 1990, Physical review. B, Condensed matter.

Structural, dynamical, and electronic properties of amorphous silicon: An ab initio molecular dynamics study.

Car, Parrinello, 1988, Physical review letters.

Lattice study of the gluon propagator in momentum space.

Bernard, Soni, Parrinello, 1993, Physical review. D, Particles and fields.

Reconstruction of the diamond (111) surface.

Galli, Parrinello, Gygi, 1992, Physical review letters.

Structural, electronic, and vibrational properties of Si(111)-2 x 1 from ab initio molecular dynamics.

Andreoni, Car, Parrinello, 1990, Physical review letters.

Ab initio calculation of properties of carbon in the amorphous and liquid states.

Car, Galli, Parrinello, 1990, Physical review. B, Condensed matter.

Structure of hydrogenated amorphous silicon from ab initio molecular dynamics.

Car, Búda, Parrinello, 1991, Physical Review B (Condensed Matter).

Zero-point-motion effects on the structure of C60.

Andreoni, Parrinello, Kohanoff, 1992, Physical review. B, Condensed matter.

Microscopic struture of amorphous covalent alloys probed by ab initio molecular dynamics: SiC.

Bertoni, Galli, Parrinello, 1992, Physical review letters.

Liquid arsenic: Comparison of ab initio and pair-potential predictions of molecular structure.

Broughton, Car, Allen, 1990, Physical review. B, Condensed matter.

Equilibrium structures and finite temperature properties of silicon microclusters from ab initio molecular-dynamics calculations.

Andreoni, Car, Parrinello, 1988, Physical review letters.

Absence of metal clusters and appearance of new electron states in Na6C60.

Andreoni, Parrinello, Giannozzi, 1994, Physical review letters.

Polaron theory of electrons solvated in molten salts.

Malescio, Parrinello, 1987, Physical review. A, General physics.