P Giannozzi

Summary

Country: Italy

Publications

  1. ncbi request reprint First-principle molecular dynamics with ultrasoft pseudopotentials: parallel implementation and application to extended bioinorganic systems
    P Giannozzi
    Department of Chemistry and Princeton Materials Institute, Princeton University, Princeton, New Jersey 08544NEST INFM, Scuola Normale Superiore di Pisa, I 56126 Pisa, Italy
    J Chem Phys 120:5903-15. 2004
  2. ncbi request reprint Theoretical design of coupled organic-inorganic systems
    G Mattioli
    Department of Chemistry, Universita di Roma La Sapienza, Piazzale A Moro 2, 00185 Rome, Italy
    Phys Rev Lett 101:126805. 2008

Collaborators

  • G Mattioli
  • R Caminiti
  • A Amore Bonapasta
  • F Filippone

Detail Information

Publications2

  1. ncbi request reprint First-principle molecular dynamics with ultrasoft pseudopotentials: parallel implementation and application to extended bioinorganic systems
    P Giannozzi
    Department of Chemistry and Princeton Materials Institute, Princeton University, Princeton, New Jersey 08544NEST INFM, Scuola Normale Superiore di Pisa, I 56126 Pisa, Italy
    J Chem Phys 120:5903-15. 2004
    ..Our results show that accurate density-functional theory calculations on systems with several hundred atoms are feasible with access to moderate computational resources...
  2. ncbi request reprint Theoretical design of coupled organic-inorganic systems
    G Mattioli
    Department of Chemistry, Universita di Roma La Sapienza, Piazzale A Moro 2, 00185 Rome, Italy
    Phys Rev Lett 101:126805. 2008
    ..Our results also reveal a universal alignment of the Pc electronic levels to the semiconductor band gap and suggest a general procedure for designing efficiently coupled organic-inorganic systems...