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-Theory-Based Molecular Dynamics Study of 1, 3, 5-Trioxane and 1, 3-Dioxolane Protolysis
- - Alessandro Curioni
  - Wanda Andreoni
  - et al.
- 2002
- JACS
Density functional theory-based molecular dynamics simulation of acid-catalyzed chemical reactions in liquid trioxane
- - Alessandro Curioni
  - Michiel Sprik
  - et al.
- 1997
- JACS
Self-assembled peptide nanotubes from first principles
- - Paolo Carloni
  - Wanda Andreoni
  - et al.
- 1997
- Physical Review Letters
Ionic diffusion in a ternary superionic conductor: An Ab initio molecular dynamics study
- - Steffen Wengert
  - Reinhard Nesper
  - et al.
- 1996
- Physical Review Letters
Nonempirical calculations of a hydrated RNA duplex
- - Jürg Hutter
  - Paolo Carloni
  - et al.
- 1996
- JACS
Structural quantum effects and three-centre two-electron bonding in CH⁺₅
- - Dominik Marx
  - Michele Parrinello
- 1995
- Nature
Nature of the conduction states in the metallic molecular crystal Li(NH3)4
- - Jorge Kohanoff
  - Francesco Buda
  - et al.
- 1994
- Physical Review Letters
Ab Initio molecular dynamics with excited electrons
- - Ali Alavi
  - Jorge Kohanoff
  - et al.
- 1994
- Physical Review Letters
Hydrolysis at stepped MgO surfaces
- - Walter Langel
  - Michele Parrinello
- 1994
- Physical Review Letters
Absence of metal clusters and appearance of new electron states in Na6C60
- - Wanda Andreoni
  - Paolo Giannozzi
  - et al.
- 1994
- Physical Review Letters