Integrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
- Jürg Hutter
- Mark Tuckerman
- et al.
- 1995
- The Journal of Chemical Physics
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77 results for Michele Parrinello
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 simulations of water and water ions
- M. Tuckerman
- K. Laasonen
- et al.
- 1994
- Journal of Physics: Condensed Matter
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
Properties of supercritical water: an ab initio simulation
- E.S. Fois
- M. Sprik
- et al.
- 1994
- Chemical Physics Letters
Electronic and geometric structure of La@xaC82 and C82: Theory and experiment
- D.M. Poirier
- M. Knupfer
- et al.
- 1994
- Physical Review B
Ab initio path-integral molecular dynamics
- Dominik Marx
- Michele Parrinello
- 1994
- Zeitschrift für Physik B Condensed Matter
Ab initio molecular dynamics of C70. Intramolecular vibrations and zero-point motion effects
- Giovanni Onida
- Wanda Andreoni
- et al.
- 1994
- Chemical Physics Letters
Absence of metal clusters and appearance of new electron states in Na6C60
- Wanda Andreoni
- Paolo Giannozzi
- et al.
- 1994
- Physical Review Letters