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
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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