DFT-based molecular dynamics as a new tool for computational biology: First applications and perspective
- W. Andreoni
- A. Curioni
- et al.
- 2001
- IBM J. Res. Dev
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122 results for Alessandro Curioni
Computer simulations for organic light-emitting diodes
- A. Curioni
- W. Andreoni
- 2001
- IBM J. Res. Dev
Density-functional theory and car-parinello study of electronic, structural, and dynamical properties of the hexapyrrole molecule
- Renato Colle
- Alessandro Curioni
- 2000
- Journal of Physical Chemistry A
Organic-cathode interface in Alq3-based organic light-emitting devices: new insights from ab-initio molecular dynamics
- Alessandro Curioni
- Wanda Andreoni
- 2000
- Synthetic Metals
Density functional theory approach to thiols and disulfides on gold: Au(111) surface and clusters
- Wanda Andreoni
- Alessandro Curioni
- et al.
- 2000
- International Journal of Quantum Chemistry
New advances in chemistry and materials science with CPMD and parallel computing
- Wanda Andreoni
- Alessandro Curioni
- 2000
- Parallel Computing
Atom-resolved electronic spectra for Alq3 from theory and experiment
- A. Curioni
- W. Andreoni
- et al.
- 1998
- Applied Physics Letters
Alq 3 : Ab initio calculations of its structural and electronic properties in neutral and charged states
- Alessandro Curioni
- Mauro Boero
- et al.
- 1998
- Chemical Physics Letters
Lithium-aluminum contacts for organic light-emitting devices
- E.I. Haskal
- A. Curioni
- et al.
- 1997
- Applied Physics Letters
Chemical shifts of diamagnetic azafullerenes: (C59N) 2 and C59HN
- Michael Bühl
- Alessandro Curioni
- et al.
- 1997
- Chemical Physics Letters