present, past and futurepresent, past and future
Claudio AttaccaliteClaudio Attaccalite
Tailoring the optical properties of Si Nws with Si/Ge mixing
M.Palummo et al. Phys. Rev. B 82, 073305 (2010)
Surface Physics: a gold chain on Silicon
Optical characterization of gold chains and steps on the vicinal Si(557)
surface: Theory and experiment
C. Hogan, N. McAlinden, J. F. McGilp Physica Status Solidi (2012)
Photovoltaics: Excitons at the Anatase
G. Giorgi et al.
Phys. Rev. B 84 074301(2011)
excitation in porphirines
M. Palummo et al J. Chem Phys.M. Palummo et al J. Chem Phys. 131131, 084102(2009), 084102(2009)
Ab-initio Aharonov-Bohm effect
Anomalous Aharonov-Anomalous Aharonov-
Bohm due to theBohm due to the
Lorentz correctionLorentz correction
Nano Lett., 2011, 11Nano Lett., 2011, 11
(10), pp 4052–4057(10), pp 4052–4057
Defects in bulks
Magnetic systems: Kerr effect
in Iron and Cobalt
D. Sangalli et al.
Non-linear optics can calculated in the same way of TD-
DFT as it is done in OCTOPUS or RT-TDDFT/SIESTA codes.
Y.Takimoto, Phd thesis (2008)
Structure-Assigned Optical Spectra of Single-Walled Carbon
Nanotubes Sergei M. Bachilo et al. Science 298. 2361(2002)
Expected computation advances
• Better Parallelization
• Improved memory distribution in GW and BSE
• Efficient integrators for ODE
• Fast and scalable matrix diagolalization and
inversion also for non-Hermitiam matrices
• Improved basis-set?
• Interface to other codes: CPMD, GPAW etc..