Publications

124 results for Alessandro Curioni

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
Car-Parrinello molecular dynamics on massively parallel computers
- - Jürg Hutter
  - Alessandro Curioni
- 2005
- ChemPhysChem
Early experience with scientific applications on the Blue Gene/L supercomputer
- - George Almasi
  - Gyan Bhanot
  - et al.
- 2005
- EuroPar 2005
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
Ab initio design of high-k dielectrics: La_xY _1-xAlO₃
- - Stephen A. Shevlin
  - Alessandro Curioni
  - et al.
- 2005
- Physical Review Letters
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
Calculation of nonadiabatic couplings in density-functional theory
- - Salomon R. Billeter
  - Alessandro Curioni
- 2004
- Journal of Chemical Physics
Interface engineering for enhanced electron mobilities in W/HfO ₂ gate stacks
- - A.C. Callegari
  - P. Jamison
  - et al.
- 2004
- IEDM 2004