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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122 results for Alessandro Curioni

Reply to comment on "disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculations"
- - Carlo A. Pignedoli
  - Alessandro Curioni
  - et al.
- 2006
- ChemPhysChem
Electron mobility dependence on annealing temperature of W/HfO ₂ gate stacks: The role of the interfacial layer
- - A.C. Callegari
  - P. Jamison
  - et al.
- 2006
- Journal of Applied Physics
The structure of the SiO₂/Si(100) interface from a restraint-free search using computer simulations
- - Dominik Fischer
  - Alessandro Curioni
  - et al.
- 2006
- Applied Physics Letters
New scoring functions for virtual screening from molecular dynamics simulations with a quantum-refined force-field (QRFF-MD). Application to cyclin-dependent kinase 2
- - Ph. Ferrara
  - A. Curioni
  - et al.
- 2005
- J. Chem. Inf. Model.
Car-Parrinello molecular dynamics on massively parallel computers
- - Jürg Hutter
  - Alessandro Curioni
- 2005
- ChemPhysChem
Disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculations
- - Carlo A. Pignedoli
  - Alessandro Curioni
  - et al.
- 2005
- ChemPhysChem
Enhancing the accuracy of virtual screening: Molecular dynamics with quantum-refined force fields
- - Alessandro Curioni
  - Tiziana Mordasini
  - et al.
- 2005
- J. Comput. Aided Mol. Des.
Broken inter-C ₆₀ bonds as the cause of magnetism in polymeric C ₆₀: A density functional study using C ₆₀ dimers
- - Jordi Ribas-Ariño
  - Alessandro Curioni
  - et al.
- 2005
- Journal of Physical Chemistry A
HPCx: Towards capability computing
- - Mike Ashworth
  - Ian J. Bush
  - et al.
- 2005
- CCPE
Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD code
- - Jürg Hutter
  - Alessandro Curioni
- 2005
- Parallel Computing