Structure of nanoscale silicon clusters
- Ursula Röthlisberger
- Wanda Andreoni
- et al.
- 1994
- Physical Review Letters
Paper
Publications
77 results for Michele Parrinello
Integrating the Car-Parrinello equations. II. Multiple time scale techniques
- Mark E. Tuckerman
- Michele Parrinello
- 1994
- The Journal of Chemical Physics
PaperIntegrating the Car-Parrinello equations. I. Basic integration techniques
- Mark E. Tuckerman
- Michele Parrinello
- 1994
- The Journal of Chemical Physics
PaperElectronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace
- Jürg Hutter
- Hans Peter Lüthi
- et al.
- 1994
- Computational Materials Science
PaperExponential transformation of molecular orbitals
- Jürg Hutter
- Michele Parrinello
- et al.
- 1994
- The Journal of Chemical Physics
PaperStructures of small water clusters using gradient-corrected density functional theory
- K. Laasonen
- M. Parrinello
- et al.
- 1993
- Chemical Physics Letters
PaperAb initio studies on the structural and dynamical properties of ice
- Changyol Lee
- David Vanderbilt
- et al.
- 1993
- Physical Review B
PaperCoexistence of monatomic and diatomic molecular fluid character in liquid gallium
- X.G. Gong
- G. Chiarotti
- et al.
- 1993
- EPL
Paper"Ab initio" liquid water
- K. Laasonen
- M. Sprik
- et al.
- 1993
- The Journal of Chemical Physics
PaperReconstruction of the diamond (1 1 1) surface
- Simonetta Iarlori
- Giulia Galli
- et al.
- 1993
- Physica B: Physics of Condensed Matter
Paper