Tonatiuh Rangel Gordillo



Postdoctoral Fellow
Theory of Nanostructured Materials Facility
Molecular Foundry


2013—Postdoctoral Fellow
CEA France
Supervisor: Marc Torrent

2011—Phd. in Applied Sciences
Catholic University of Louvain
Advisor: Gian-Marco Rignanese

I am currently a member of the Molecular Foundry's Theory group, working under the supervision of Jeffrey Neaton.

Research Interests

I am interested in development and application of ab-initio methods to simulate material properties.  In particular, I am involved in  modeling of electric, optical and transport properties of semiconductors, organic solids and metal-molecule junctions. I use highly accurate and predictive quantum mechanics approaches such as density functional theory (DFT) and many-body perturbation theory (GW and BSE).

Selected Publications

The bandstructure of gold from many-body perturbation theory.

Rangel, T., Kecik, D., Trevisanutto, P. E., Rignanese, G.- M., Van Swygenhoven, H., and Olevano, V.  Phys. Rev. B 86, 125125 (2012).

Transport properties of molecular junctions from many-body perturbation theory. 
Rangel, T., Ferretti, A., Trevisanutto, P. E., Olevano, V., and Rignanese, G.-M. Phys. Rev. B 84, 045426 (2011).

ABINIT: first-principles approach to material and nanosystem properties.
Gonze, X., Amadon, B., Anglade, P., Beuken, J., Bottin, F., Boulanger, P., Bruneval, F., Caliste, D., Caracas, R., Côté, M., Deutsch, T., Genovese, L., Ghosez, P., Giantomassi, M., Goedecker, S., Hamann, D., Hermet, P.,
Jollet, F., Jomard, G., Leroux, S., Mancini, M., Mazevet, S., Oliveira, M., Onida, G., Pouillon, Y., Rangel, T., Rignanese, G.-M., Sangalli, D., Shaltaf, R., Torrent, M., Verstraete, M., Zerah, G., and Zwanziger, J.  Comput. Phys. Commun., 180, 2582 (2009).
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