Computer simulations for organic light-emitting diodes
- A. Curioni
- W. Andreoni
- 2001
- IBM J. Res. Dev
Paper
Publications
110 results for Wanda Andreoni
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
PaperGold and platinum microclusters and their anions: Comparison of structural and electronic properties
- Henrik Grönbeck
- Wanda Andreoni
- 2000
- Chemical Physics
PaperOrganic-cathode interface in Alq3-based organic light-emitting devices: new insights from ab-initio molecular dynamics
- Alessandro Curioni
- Wanda Andreoni
- 2000
- Synthetic Metals
PaperThiols and disulfides on the Au(111) surface: The headgroup-gold interaction
- Henrik Grönbeck
- Alessandro Curioni
- et al.
- 2000
- JACS
PaperKey Steps of the cis-Platin-DNA Interaction: Density Functional Theory-Based Molecular Dynamics Simulations
- Paolo Carloni
- Michiel Sprik
- et al.
- 2000
- Journal of Physical Chemistry B
PaperDensity 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
PaperNew advances in chemistry and materials science with CPMD and parallel computing
- Wanda Andreoni
- Alessandro Curioni
- 2000
- Parallel Computing
PaperMetal-Alq3 complexes: The nature of the chemical bonding
- Alessandro Curioni
- Wanda Andreoni
- 1999
- JACS
PaperStructural, electronic, and vibrational properties of neutral and charged [Formula Presented] clusters
- Henrik Grönbeck
- Arne Rosén
- et al.
- 1998
- Physical Review A - AMO
Paper