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Postdoctoral position on ab initio transport pro ... (No replies)

lmaschio
2 weeks ago
lmaschio 2 weeks ago

A one-year postdoc position is available at the Theoretical Chemistry Group at the Chemistry Department, University of Torino, Italy. The work is to be developed in the framework of a project on novel thermoelectric materials financed by the University of Torino, in collaboration with experimental groups in the same institution.

The aim is to characterize, by means of DFT methods, interesting novel thermoelectrics such as skutterudites and half-Heusler alloys. A major part of the work will involve implementation of new computational tools, such as electron-phonon coupling, in the Crystal code ( http://www.crystal.unito.it ) that uses an atom-centred local basis set of gaussian functions.

The ideal candidate should have a good knowledge and skills in code development either in the field of quantum chemistry or solid-state physics. Good knowledge of theoretical aspects of solid state physics is desirable. Practical experience with ab initio calculation of solids will be appreciated.

Interested candidates should contact Dr. Lorenzo Maschio ( [email protected] ) as soon as possible. The position will be opened only when, and if, a suitable candidate is found, starting ideally between December 2017 and beginning of 2018.



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