Yambo: present, past and future

1. Yambo:Yambo:
present, past and futurepresent, past and future
Claudio AttaccaliteClaudio Attaccalite

4. Nano-structures:
Tailoring the optical properties of Si Nws with Si/Ge mixing
M.Palummo et al. Phys. Rev. B 82, 073305 (2010)

5. 02
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)

6. 02
Photovoltaics: Excitons at the Anatase
TiO2
(001) surfaces
Interest:
Photocatalysis, Photovoltaics
G. Giorgi et al.
Phys. Rev. B 84 074301(2011)

7. Molecular systems:
excitation in porphirines
M. Palummo et al J. Chem Phys.M. Palummo et al J. Chem Phys. 131131, 084102(2009), 084102(2009)

8. Magnetic systems:
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

9. Real-time spectroscopy:Real-time spectroscopy:
out-of-equilibrium electronic systemsout-of-equilibrium electronic systems
100 fs – 1 ps

11. Large systems:
Defects in bulks
and nanostructures
Biological molecules
Molecules
on surfaces

12. Magnetic systems: Kerr effect
Kerr parameters
in Iron and Cobalt
D. Sangalli et al.
ArXiv 1205.1944

13. Non-linear optics
Non-linear optics can calculated in the same way of TD-
DFT as it is done in OCTOPUS or RT-TDDFT/SIESTA codes.
Quasi-monocromatich-field
p-nitroaniline
Y.Takimoto, Phd thesis (2008)

14. Luminescence
Structure-Assigned Optical Spectra of Single-Walled Carbon
Nanotubes Sergei M. Bachilo et al. Science 298. 2361(2002)

15. 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..

16. Merci de votre attention
Claudio Attaccalite