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

Bonding and disorder in liquid silicon
- - I. Åtich
  - R. Car
  - et al.
- 1989
- Physical Review Letters
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