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PhD position in high-throughput computational ma ... (No replies)

geoffroy
10 years ago
geoffroy 10 years ago

A PhD position in computational high-throughput discovery and design of new materials for photovoltaics is open in the group of Professor Geoffroy Hautier at Université catholique de Louvain (UCL) (http://perso.uclouvain.be/geoffroy.hautier/)

The position will target the development and use of large computational databases of ab initio computations to search for new solar absorbers and transparent conducting oxides. The work is performed in close collaboration with the Materials Project (http://www.materialsproject.org). Interested applicants can look at our recent work in this field:

Hautier, G., Miglio, A., Ceder, G., Rignanese, G.-M., & Gonze, X. (2013). Identification and design principles of low hole effective mass p-type transparent conducting oxides. Nature Communications, 4, 2292.

Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G., Persson, K. A. (2013). Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Materials, 1(1), 011002.

The PhD duration is 4 years and the starting date would ideally be on October 2015. Applicants must have a degree in materials science, chemistry or physics (or equivalent). Previous experience in ab initio and density functional theory (DFT) computations as well as good coding skills, while not required, is a plus. We offer a strong scientific environment with worldwide collaborations in the heart of Europe.

Applicants should send their application (motivation letter, CV, contact info for 3 references) by e-mail to Geoffroy Hautier

([email protected]).




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Ab initio (from electronic structure) calculation of complex processes in materials