Bonding and disorder in liquid silicon
- I. Åtich
- R. Car
- et al.
- 1989
- Physical Review Letters
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77 results for Michele Parrinello
Equilibrium structures and finite temperature properties of silicon microclusters from ab initio molecular-dynamics calculations
- Pietro Ballone
- Wanda Andreoni
- et al.
- 1988
- Physical Review Letters
Au (100) surface reconstruction
- F. Ercolessi
- E. Tosatti
- et al.
- 1986
- Physical Review Letters
Characterization of Vanadium Species in Mixed Chloride-Sulfate Solutions: An Ab Initio Metadynamics Study
- Marta Bon
- Teodoro Laino
- et al.
- 2016
- Journal of Physical Chemistry C
Temperature and segregation effects in alkali-metal microclusters from ab initio molecular dynamics simulations
- P. Ballone
- W. Andreoni
- et al.
- 2007
- EPL
Si(111): (2x1) reconstruction and surface phonons from ab-initio molecular dynamics
- F. Ancilotto
- W. Andreoni
- et al.
- 2007
- Physica Scripta
Ab initio molecular dynamics of ion solvation. The case of Be2+ in water
- Dominik Marx
- Michiel Sprik
- et al.
- 1997
- Chemical Physics Letters
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
- Michiel Sprik
- Jürg Hutter
- et al.
- 1996
- Journal of Chemical Physics
Static and dynamic density functional investigation of hydrated beryllium dications
- D. Marx
- E.S. Fois
- et al.
- 1996
- International Journal of Quantum Chemistry
Carboplatin versus cisplatin: density functional approach to their molecular properties
- Elena Tornaghi
- Wanda Andreoni
- et al.
- 1995
- Chemical Physics Letters