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Ivo  Cacelli

Position:

Associate professor

 

Address:

Department of  Chemistry, University of Pisa    

via Risorgimento 35

56126  Pisa,  Italy

Phone:

+39-050-221 9 236

Fax:

+39-050-221 9 260

E-mail:

ivo@dcci.unipi.it

 

 

 

 

 

 

Research fields

  • Quantum Mechanics     Theoretical Chemistry     Computational Chemistry

Current research projects

  • Theoretical study of the stability of liquid crystal phases by simulation methods using force fields generated  by quantum chemical calculations
  • Development of methods for the calculation of intermolecular energies of large molecules
  • Electron transport through single molecules in micro-electronics science
  • Theoretical Study of the magnetic splittings in diradicals
  • Study of electron transfer in mixed valence metal complexes

Didactics

  • Chimica Teorica    (Theoretical Chemistry) per il corso di studi in Chimica
  • Chimica Ambientale I   (per il corso di studi in Scienze l'Ambientali)
  • Fondamenti di Meccanica Quantistica   (SNS)

Publications

Links

·  Theoretical Group of Liquid Crystals  at the Department of Chemistry, Pisa

·  Village project

·  IPCF

Implemented codes and executables

JOYCE

user installation guide (pdf)

source code and examples (gzipped tar)

FRM

user installation guide (txt)

source code and examples (gzipped tar)

Collaborations