Searching for crystal-ice domains in amorphous ices
- Fausto Martelli
- Nicolas Giovambattista
- et al.
- 2018
- Physical Review Materials
Publications
34 results for Roberto Car
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
First-principles calculations of self-diffusion constants in silicon
- Peter E. Blöchl
- Enrico Smargiassi
- et al.
- 1993
- Physical Review 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
Ab initio studies on high pressure phases of ice
- Changyol Lee
- David Vanderbilt
- et al.
- 1992
- Physical Review Letters
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