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

Density functional study of small aqueous Be²⁺ clusters
- - D. Marx
  - J. Hutter
  - et al.
- 1995
- Chemical Physics Letters
Structure and bonding in cisplatin and other Pt(II) complexes
- - Paolo Carloni
  - Wanda Andreoni
  - et al.
- 1995
- Chemical Physics Letters
Molecular structure and chemical bonding in K3C60 and K6C60
- - Wanda Andreoni
  - Paolo Giannozzi
  - et al.
- 1995
- Physical Review B
Ab initio molecular dynamics simulation of the solvation and transport of H₃O⁺ and OH^- ions in water
- - Mark Tuckerman
  - Kari Laasonen
  - et al.
- 1995
- Journal of Physical Chemistry
Electronic structure of the Cu, Zn superoxide dismutase active site and its interactions with the substrate
- - Paolo Carloni
  - Peter E. Blöchl
  - et al.
- 1995
- Journal of Physical Chemistry
Ab initio molecular dynamics of H₂O adsorbed on solid MgO
- - Walter Langel
  - Michele Parrinello
- 1995
- The Journal of Chemical Physics
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
- - M. Tuckerman
  - K. Laasonen
  - et al.
- 1995
- The Journal of Chemical Physics
Integrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
- - Jürg Hutter
  - Mark Tuckerman
  - et al.
- 1995
- The Journal of Chemical Physics
Ab initio simulations of water and water ions
- - M. Tuckerman
  - K. Laasonen
  - et al.
- 1994
- Journal of Physics: Condensed Matter
Properties of supercritical water: an ab initio simulation
- - E.S. Fois
  - M. Sprik
  - et al.
- 1994
- Chemical Physics Letters