MICROSCOPIC THEORY OF SELF-DIFFUSION AND IMPURITY DIFFUSION IN SILICON.
- R. Car
- P.J. Kelly
- et al.
- 1984
- ICDS 1984
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34 results for Roberto Car
Searching for crystal-ice domains in amorphous ices
- Fausto Martelli
- Nicolas Giovambattista
- et al.
- 2018
- Physical Review Materials
Oxidation state changes and electron flow in enzymatic catalysis and electrocatalysis through wannier-function analysis
- Patrick H.-L. Sit
- Federico Zipoli
- et al.
- 2011
- Chemistry - A European Journal
Temperature and segregation effects in alkali-metal microclusters from ab initio molecular dynamics simulations
- P. Ballone
- W. Andreoni
- et al.
- 2007
- EPL
Structures of small water clusters using gradient-corrected density functional theory
- K. Laasonen
- M. Parrinello
- et al.
- 1993
- Chemical Physics Letters
Ab initio studies on the structural and dynamical properties of ice
- Changyol Lee
- David Vanderbilt
- et al.
- 1993
- Physical Review B
"Ab initio" liquid water
- K. Laasonen
- M. Sprik
- et al.
- 1993
- The Journal of Chemical Physics
Amorphous silicon studied by ab initio molecular dynamics: Preparation, structure, and properties
- I. Åtich
- R. Car
- et al.
- 1991
- Physical Review B
Structure of hydrogenated amorphous silicon from ab initio molecular dynamics
- F. Buda
- Guido L. Chiarotti
- et al.
- 1991
- Physical Review B
Structural, bonding, dynamical, and electronic properties of liquid silicon: An ab initio molecular-dynamics study
- I. Atich
- R. Car
- et al.
- 1991
- Physical Review B