Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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77 results for Michele Parrinello

"Ab initio" liquid water
- - K. Laasonen
  - M. Sprik
  - et al.
- 1993
- The Journal of Chemical Physics
Reconstruction of the diamond (1 1 1) surface
- - Simonetta Iarlori
  - Giulia Galli
  - et al.
- 1993
- Physica B: Physics of Condensed Matter
Chemical order in amorphous covalent alloys. A theoretical study of a-SiC
- - Fabio Finocchi
  - Giulia Galli
  - et al.
- 1993
- Physica B: Physics of Condensed Matter
A possible new highly stable fulleride cluster: Li₁₂C₆₀
- - Jorge Kohanoff
  - Wanda Andreoni
  - et al.
- 1992
- Chemical Physics Letters
Zero-point-motion effects on the structure of C60
- - Jorge Kohanoff
  - Wanda Andreoni
  - et al.
- 1992
- Physical Review B
Si(111):Na: Structural and electronic properties from ab initio molecular dynamics
- - Isabelle Moullet
  - Wanda Andreoni
  - et al.
- 1992
- Physical Review B
Water dimer properties in the gradient-corrected density functional theory
- - K. Laasonen
  - F. Csajka
  - et al.
- 1992
- Chemical Physics Letters
Alkali adsorption on Si(111) surfaces: ab initio molecular dynamics studies
- - Isabelle Moullet
  - Wanda Andreoni
  - et al.
- 1992
- Surface Science
Adiabaticity in first-principles molecular dynamics
- - Peter E. Blöchl
  - M. Parrinello
- 1992
- Physical Review B
Impurity states in doped fullerenes: C₅₉B and C₅₉N
- - Wanda Andreoni
  - François Gygi
  - et al.
- 1992
- Chemical Physics Letters