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Marilia Junqueira Caldas

Full Professor

tel. +39 059 2055629

fax +39 059 2055651



Instituto de Física, Universidade de São Paulo, 05508-900 São Paulo, SP, Brazil
tel. +55 11 30917023/30916922
fax +55 11 30916831

Research interests

Theoretical condensed matter physics, mainly electronic structure, of complex semiconductor systems and organic compounds of biological or technological interest. At present, my efforts are directed to understand how, in the nanoscopic domain, organic compounds (molecules or polymers) and inorganic semiconductors or metals can be combined to yield useful nanodevices.

Biographical sketch

1981-PhD, Institute of Physics, USP, Brazil
1983/1984 Post-Doctoral Studies, Solar Energy Research Institute (now National Renewable Energy Lab), Department of Energy, Colorado USA (Prof. Dr. A. Zunger, supervisor)
1992 “Libera Docenza”, Institute of Physics, USP, Brazil
1990/1992 Head of Scientific Computing, University Computer Center, USP
1992/2000 Associate Professor, Institute of Physics, USP
1994/2000 Chief Executive Officer for Computing and Networks (Head of University Computer Center), USP
2000/present date Full Professor, Institute of Physics, USP. For more than fifteen years close scientific collaboration with S3.

Selected publications

“A universal trend in the binding energies of deep impurities in semiconductors” MJC, A. Fazzio and A. Zunger, Appl. Phys. Lett. 45, 671 (1984)
“Polymerization of 5,6-indolequinone: a view into the band-structure of melanins”, D.S. Galvão and MJC, J. Chem. Phys 88, 4088 (1988)
“Role of disorder in the conduction mechanism of polyanilines”, D.S. Galvão, D.A. dos Santos, B. Laks, C.P. Melo and MJC, Phys. Rev. Lett. 63, 786 (1989)
“Optical emission from small Si particles”, R. J. Baierle, MJC, E. Molinari and S. Ossicini, Solid State Commun. 102, 545 (1997)
“Solid state effects on exciton states and optical properties of PPV”, A. Ruini, MJC, G. Bussi and E. Molinari, Phys. Rev. Lett. 88, 6403 (2002)
"First-Principles Theory of Correlated Transport through Nanojunctions" A. Ferretti, A. Calzolari, R. Di Felice, F. Manghi, MJC, M. Buongiorno Nardelli, and E. Molinari, Phys. Rev. Lett. 94, 116802 (2005)
"Photoluminescence Studies of Phenanthrene-Azomethyne Conjugated-Nonconjugated Multiblock Copolymer" A. M. Machado, M. Munaro, T. D. Martins, L. Y. A. Dávila, R. Giro, MJC, T. D. Z Atvars, and L. C. Akcelrud, Macromol. 39, 3398 (2006)
"Unraveling effects of disorder on the electronic structure of SiO2 from first principles” L. Martin-Samos, G. Bussi, A. Ruini, E. Molinari and MJC, Phys. Rev. B RC 81, 081201 (2010)

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