<div dir="ltr"><br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">María Gabriela Lagorio</b> <span dir="ltr"><<a href="mailto:mariagabrielalagorio@gmail.com">mariagabrielalagorio@gmail.com</a>></span><br>
Date: Wed, Nov 13, 2013 at 10:21 AM<br>Subject: Fwd: [Todos QI] SeminarioINQUIMAE- Área Química Computacional-Miércoles 13-11<br>To: <a href="mailto:ferraro@df.uba.ar">ferraro@df.uba.ar</a><br><br><br><div dir="ltr">Recordatorio<br>
<div><br><div class="gmail_quote">----------<br><br>Estimados todos,<br>
<br>
El miércoles 13 de noviembre a las 14 hs, el Dr. David Micha dará un<br>
Seminario en INQUIMAE sobre Density Matrix Treatment of Optical Properties<br>
and Photoconductivity in Photovoltaic Materials.<br>
Abajo figura más información sobre la charla.<br>
<br>
Están todos cordialmente invitados,<br>
M. Gabriela<br>
---------------------------------------------------<br>
<br>
Miércoles 13 de noviembre de 2013, 14 hs<br>
INQUIMAE. Aula de seminarios del 3er piso. FCEN, Pabellón II.<br>
<br>
Density Matrix Treatment of Optical Properties and Photoconductivity in<br>
Photovoltaic Materials<br>
<br>
David A. Micha,<br>
Chemistry and Physics Departments, University of Florida, USA.<br>
<br>
<br>
Following a brief introduction of methods of Chemical Physics and<br>
Computational Chemistry for many-atom systems, it is shown how reduced<br>
density matrices can be used to describe electronic systems undergoing<br>
dissipative dynamics due to their interaction with a medium. This is<br>
applied to silicon compounds including nanostructured silicon slabs and<br>
quantum dots, containing both metal cluster adsorbates and dopants of<br>
groups III and V. Optical properties include photoabsorption and<br>
photoinduced electronic rearrangement at surfaces. Recent development of a<br>
treatment of photoconductivity in these materials starting from atomic<br>
structure is also described.<br>
<br>
Research work partly supported by the National Science Foundation and by<br>
the Dreyfus Foundation of the USA.<br>
<br>
Propiedades Opticas y Fotoconductividad en Materiales Fotovoltaicos<br>
Usando Methods de Matriz Densidad<br>
<br>
Comenzando con una breve introduccion a metodos de Quimicofisica y Quimica<br>
Computacional para systemas de muchos atomos, se muestra como matrices<br>
estadisticas reducidas pueden usarse para describir systemas electronicos<br>
con una dinamica disipativa debida a interaccion con excitaciones de<br>
energia en un medio. Esto se aplica a compuestos de Silicio incluyendo<br>
superficies nanoestructuradas y “quantum dots”, conteniendo metales<br>
adsorbidos o dopantes de los grupos III y V. Propiedades opticas incluyen<br>
fotoabsorcion y reagrupacion electronica inducida por luz. Desarrollos<br>
recientes se presentan para tratar fotoconductividad en estos materiales a<br>
partir de su estructura atomica.<br>
<br>
Biographical Sketch of David A. Micha<br>
<br>
a. Professional Preparation.<br>
<br>
Institute of Physics, National University of Cuyo, Bariloche, Argentina,<br>
Lic. Phys. (M.Sc.), 1962<br>
<br>
University of Uppsala, Sweden, Physical Sciences (Quantum Chemistry), Fil.<br>
Lic. (Ph.D.), 1965, and Fil. Doktor (D.Sc.), 1966<br>
<br>
Postdoctoral Research Associate, Quantum Chemistry Group, University of<br>
Uppsala, Sweden, November 1965-January 1966<br>
<br>
Postdoctoral Research Associate, Theoretical Chemistry Institute,<br>
University of Wisconsin, Madison, May 1966-July 1967<br>
<br>
b. Appointments<br>
<br>
Professor of Chemistry and Physics Emeritus, and Adjunct Professor,<br>
University of Florida, Gainesville, January 2008-present<br>
<br>
Head, Physical Chemistry Division, Univ. of Florida, 1999-2004.<br>
<br>
Director, Univ. of Florida Center for Chemical Physics, 1982-91.<br>
<br>
Professor of Chemistry and Physics, University of Florida, July 1974-Dec.<br>
2007<br>
<br>
Associate Professor of Chemistry and Physics, University of Florida,<br>
September 1969-June 1974<br>
<br>
Assistant Research Physicist, Institute for Pure and Applied Physical<br>
Sciences and Department of hysics, University of California, San Diego<br>
(La Jolla), August 1967-August 1969<br>
<br>
Selected Professional Activities and Awards.<br>
<br>
Fellow, Alfred P. SloanFoundation, 1971-74; Visiting Lamberg Professor,<br>
University of Gothenburg, 1971; U.S. Senior Scientist Award, A. Von<br>
Humboldt Foundation, W. Germany, 1976; Fellow, American Physical Society,<br>
1976; J.I.L.A. Fellow, National Bureau of Standards, 1983; Vicechairman<br>
(1987-88) and Chairman (1988-89), American Physical Society Topical Group<br>
on Few-Body Systems and<br>
Multiparticle Dynamics; Invited scientist, Research Awards Program, A. Von<br>
Humboldt Foundation, W. Germany, 1996 and 1997. Visiting Scientist, NSF<br>
Institute for Theoretical Atomic and Molecular Physics, Harvard University<br>
and Smithsonian Institution, 2000,2001; Visiting Scientist, Ecole Normal<br>
Superieure, Paris, France, 2004,2005, 2007. Visiting Scholar, Institute<br>
for Mathematical Applications, Univ. of Minnesota, 2008.<br>
<br>
c. Selected Publications<br>
<br>
i) Publications related to modeling of optical properties of materials<br>
<br>
1. D. A. Micha, "Density matrix treatment of non-adiabatic photoinduced<br>
electron transfer at a semiconductor surface", J. Chem. Phys. 137, 22A521<br>
(2012)<br>
2. J. J. Ramirez, D. S. Kilin, and D. A. Micha, "Electronic structure and<br>
optical absorbance of doped amorphous silicon slabs", Intern. J. Quantum<br>
Chem. 112, 300-313 (2012)<br>
3. Harvy Freitag, Michael Mavros, and David A. Micha "Optical Absorbance<br>
of Doped Si Quantum Dots Calculated by Time-Dependent Density Functional<br>
Theory with Electronic Self-Interaction Corrections", J. Chem. Phys. 137,<br>
144301 (2012)<br>
4. Tijo Vazhappilly, Dmitri S. Kilin, and David A. Micha, "Photoabsorbance<br>
and Photovoltage of Crystalline and Amorphous Silicon Slabs with Silver<br>
Adsorbates", J. Phys. Chem. C 116, 25525-25536 (2012)<br>
5. Tijo Vazhappilly, and David A. Micha, "Atomic Modeling of Structural<br>
and Optical Properties of Amorphous Silicon", Chem. Phys. Lett. 570, 95-99<br>
(2013)<br>
<br>
ii) Other significant publications<br>
<br>
1. D. A. Micha "Density Matrix Treatment of Electronic Rearrangement",<br>
Adv. Quantum Chem.35, 317-337 (1999).<br>
2. D. A. Micha "Time-Dependent Many-Electron Treatment of Electronic<br>
Energy and Charge Transfer in Atomic Collisions", invited Feature Article,<br>
J. Phys. Chemistry 103, 7562-7574 (1999).<br>
3. D. A. Micha, A. Santana, and A. Salam "Nonlinear optical response and<br>
yield in the femtosecond photodesorption of CO from the Cu(001) surface: A<br>
density matrix treatment", J. Chem. Phys. 116, 5173-85 (2002).<br>
4. D. A. Micha and B. Thorndyke "The quantum-classical density operator<br>
for electronically excited molecular systems", Adv. Quantum Chem. 47,<br>
293-314 (2004).<br>
5. D. A. Micha, A. Leathers, and B. Thorndyke, "Density matrix treatment<br>
of electronically excited molecular systems: Applications to gaseous and<br>
adsorbate dynamics", pp.165-194 Quantum Dynamics of Complex Molecular<br>
Systems, eds. D. A. Micha and I. Burghardt (Springer-Verlag, Heidelberg<br>
2007)<br>
<br>
d. Synergistic Activities.<br>
<br>
Scientific research supported by the National Science Foundation and the<br>
Dreyfus Foundation of the USA. Development of new books in Chemical<br>
Physics, under contract; organization of international conferences and<br>
symposia at national meetings; mentoring of undergraduate students with<br>
support from the Dreyfus Foundation.<br>
<br>
e. Collaborators and Other Affiliations.<br>
<br>
i) Collaborators .<br>
Dr. Salvador Miret-Artes, National Research Council, Madrid, Spain; Dr.<br>
Irene Burghardt, CNRS Scientist, Ecole Normale Superieure, Paris, France;<br>
Prof. Dmitri Kilin, Univ. of South Dakota<br>
<br>
ii) PI's graduate and postdoctoral advisors<br>
Ph.D. advisor: Per Olov Lowdin (Uppsala University). Postdoctoral<br>
advisors: Richard B. Bernstein (Univ. of Wisconsin, Madison) and Keith<br>
Brueckner (Univ. of California, San Diego).<br>
<br>
iii) Recent graduate students and postdoctoral scholars.<br>
A graduate student, Robert Hembree, is presently working on his PhD with<br>
the advise of the PI. Dr. Dmitri Kilin and Dr. Tijo Vazhappilly have been<br>
postdoctoral research associates with the PI. Five undergraduate students<br>
have recently been doing research under his guidance: Jessica Ramirez,<br>
Michael Mavros, Harvy Freitag, David Stewart, and Nicolas Vinson. Previous<br>
undergraduate research assistants have been David Arlund, Chris Obara, and<br>
Travis LaJoie.<br>
<br>
Te saluda cordialmente,<br>
M. Gabriela<br>
<br>
<br>
> Hola a ambos<br>
> les pido que me avisen cuando sea el SEMINARIO de MICHA, así lo difundo<br>
> por acá. En esa misma semana estará aquí SAUER.<br>
><br>
> <br>
> Saludos MARTA<br>
><br>
><br>
> Prof. Marta B. Ferraro<br>
> Dpto. Fisica, FCE. y N.<br>
> Universidad de Buenos Aires<br>
> (1428) Ciudad Universitaria. Pab. I, Buenos Aires- Argentina<br>
><br>
><br>
> FAX=54-11-45763357<br>
> Phone:<br>
> 54-11-45763353<br>
> 54-11-45763390(x815)<br>
><br>
><br>
> <a href="mailto:e-mail%3Aferraro@df.uba.ar" target="_blank">e-mail:ferraro@df.uba.ar</a><br>
> <a href="http://www.df.uba.ar/users/ferraro" target="_blank">http://www.df.uba.ar/users/ferraro</a><br>
> skypename:marta.beatriz.ferraro<br>
<br>
<br>
Dr. María Gabriela Lagorio<br>
INQUIMAE/ Dpto. de Qca. Inorg., Anal. y Qca. Física<br>
FCEN, UBA. Ciudad Universitaria. 1428.<br>
Buenos Aires, Argentina.<br>
TE: 54 11 4576 3378 int 106<br>
FAX: 54 11 4576 3341<br>
<br>
<br>
Dr. María Gabriela Lagorio<br>
INQUIMAE/ Dpto. de Qca. Inorg., Anal. y Qca. Física<br>
FCEN, UBA. Ciudad Universitaria. 1428.<br>
Buenos Aires, Argentina.<br>
TE: 54 11 4576 3378 int 106<br>
FAX: 54 11 4576 3341<span class="HOEnZb"><font color="#888888"><br>
<br>
</font></span></div><span class="HOEnZb"><font color="#888888"><br><br clear="all"><br>-- <br><pre>Dr. María Gabriela Lagorio
INQUIMAE/ Dpto. de Qca. Inorg., Anal. y Qca. Física
FCEN, UBA. Ciudad Universitaria. 1428.
Buenos Aires, Argentina.
TE: 54 11 4576 3378
FAX: 54 11 4576 3341</pre>
</font></span></div></div>
</div><br><br clear="all"><br>-- <br>Professor<br>Marta Ferraro<br>Physics Department<br>FCE. y N, Universidad de Buenos Aires<br>(1428)Ciudad Universitaria-Pab. I<br><a href="http://www.df.uba.ar/users/ferraro" target="_blank">www.df.uba.ar/users/ferraro</a><br>
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