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08.02.2012 14:23:09 

Computational Tools

Ab-Initio Quantum Chemistry
  TURBOMOLE v5.71 (general)
  GAUSSIAN 03 rev. C02 (general)
  GAMESS (general)
  NWCHEM (highly parallelized)
  DALTON 2.0 (correlated methods)
Semiempirical Quantum Chemistry
  MOPAC (semiempirical)
  MOCI: INDO/S calculations for molecules and crystals (author F. Della Sala)
  DFTB
PlaneWaves
  CPMD (molecular dynamics)
  PWSCF (plane wave)
  ABINIT (plane wave)
NanoTransport
   TranSiesta-C v1.3b
  Smeagol.0
Inorganic Quantum Nanostructure
  DAVMASS: effective mass and excitons for dots/rods/tetrapods (author F. Della Sala, Milena de Giorgi)
 
197 L. Carbone, C. Nobile,  M. De GiorgiF. Della Sala , G. Morello, P.P. Pompa, M. Hytch, E. Snoeck, A. Fiore, I. R. Franchini, M. Nadasan, A. F. Silvestre,  L. Chiodo , S. Kudera,  R. Cingolani , R. Krahne and L. Manna
26 “Synthesis and Micrometer-Scale Assembly of Colloidal CdSe/CdS Nanorods Prepared by a Seeded Growth Approach”
  Nanoletters in press
2007

146 D. Tari,  M. De GiorgiF. Della Sala , L. Carbone, R. Krahne,  L. Manna  and R. Cingolani
18 “Optical propeties of tetrapod-shaped nanocrystals”
  Appl. Phys. Lett.  87, 224101
2005

145 A. Creti`, M. Anni, M. Zavelani Rossi, G. Lanzani, G. Leo,  F. Della SalaL. Manna  and M. Lomascolo
17 “Ultrafast carrier dynamics in core and core/shell CdSe quantum rods: Role of the surface and interface defects”
  Phys. Rev. B  72, 125346
2005
  ETB: tight-binding calculations for bulk and clusters (author F. Della Sala)
  MQW: tight-binding calculations for quantum wells (author F. Della Sala)
  MSP: tight-binding calculations bulk parametrizator (author F. Della Sala)
Visualization
  Matlab R14R
  Molden
  Molekel
  gOpenMol
  XCrySDen