List of scientific publications realized with WanT

• B. Bonferroni, A. Ferretti, A. Calzolari, A. Ruini, M.J. Caldas, and E. Molinari, "Oxygen-mediated electron transport through hybrid silicon-organic interfaces", Nanotechnology 19, 285201 (2008).
• S. Wippermann, N. Koch, and W. G. Schmidt, " Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects", Phys. Rev. Lett. 100, 106802 (2008).
• S. Wippermann, W.G. Schmidt, A. Calzolari, M. Buongiorno Nardelli, A.A. Stekolnikov, K. Seino, F. Bechstedt, "Quantum conductance of In nanowires on Si(111) from first principles calculations", Surf. Sci. 601, 4045 (2007).
• G. P. Brandino, G. Cicero, B. Bonferroni, A. Ferretti, A. Calzolari, C. M. Bertoni, and A. Catellani, "Polarization properties of 1-100 and 11-20 SiC surfaces from first principles", Phys. Rev. B 76, 085322 (2007).
• A. Calzolari, A. Ferretti, M. Buongiorno Nardelli, "Ab initio correlation effects on the electronic and transport properties of metal(II)-phthalocyanine based devices", Nanotechnology 18, 424013 (2007).
•A. Calzolari and R. Di Felice, "Surface functionalization through adsorption of organic molecules", J. Phys.: Cond Matt. 19, 305018 (2007).
• P. Darancet, A. Ferretti, D. Mayou, and V. Olevano, "Ab initio GW electron-electron interaction effects in Quantum Transport", Phys. Rev. B 75, 075102 (2007). Also selected for Virtual Journal of Nanoscale Science & Technology.
• A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari and M. Buongiorno Nardelli, "Hexagon versus trimer formation in In nanowires on Si(111): energetics and quantum conductance", Phys. Rev. Lett. 98 026105 (2007)
• A. Ferretti, A. Calzolari, R. Di Felice, "Maximally-localized Wannier functions from PAW or ultrasoft pseudopotentials", J. Phys.: Condens. Matter 19, 036215 (2007).
• C. Cucinotta, B. Bonferroni, A. Ferretti, A. Ruini, M.J. Caldas, and E. Molinari, "First-principles investigation of functionalization of silicon surfaces: chemisorption of unsaturated carboxylic acids", Surf. Sci. 600, 3892 (2006).
• A. Ferretti, A. Calzolari, R. Di Felice, F. Manghi, M.J. Caldas, M. Buongiorno Nardelli, and E. Molinari, "First principle theory of correlated transport through nano-junctions", Phys. Rev. Lett. 94, 116802 (2005).
• A. Ferretti, A. Calzolari, R. Di Felice, F. Manghi, "First principles theoretical description of transport including electron-electron correlation, Phys. Rev. B 72, 125114 (2005).
• A. Calzolari and M. Buongiorno Nardelli, "First principle theory of artificial metal chains on NiAl(110) surface", Phys. Rev. B 72, 045416 (2005).
• A. Calzolari, C. Cavazzoni, and M. Buongiorno Nardelli, "Electronic and transport properties of artificial gold chains", Phys. Rev. Lett. 93, 096404 (2004).
• R. Di Felice, A. Calzolari, D. Varsano, and A. Rubio Secades, "Electronic structure calculation for nanomolecular systems", in "Introducing Molecular Electronics", Lect. Notes in Phys. 680, 77–116 (2005) edited by G. Cuniberti, K. Richter G. Fargas (Springer).
• S. Nakhmanson, A. Calzolari, V. Meunier, J. Bernholc, and M. Buongiorno Nardelli, "Spontaneous polarization and piezoelectricity in boron nitride nanotubes", Phys. Rev. B 67, 235406 (2003).
• A. Calzolari, I. Souza, N. Marzari, and M. Buongiorno Nardelli, "Ab-initio transport properties of nanostructures from maximally-localized Wannier functions", Phys. Rev. B 69, 035108 (2004).

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