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Postdoctoral position in Computational Materials ... (No replies)

[email protected]
8 years ago
[email protected] 8 years ago

The Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO) is a leading entity in the theory and simulation of hybrid interfaces for energy conversion.  CLHYO operates within the CNR Institute of Molecular Science and Technology in Perugia, Italy.

We are seeking a highly motivated post-doc with strong background in computational modeling of solar cells materials and processes.

The candidate to this position will be engaged in research involving the theoretical and computational modeling of organohalide perovskites and their application in solar cells and optoelectronic devices in general. Organohalide perovskites (e.g. methylammonium lead iodide) have recently emerged as a new class of outstanding solution-processed materials to fabricate high efficiency/low cost solar cells and optoelectronic devices. Despite the swift surge of perovskite solar cells, the field is still lacking an in-depth, atomistic understanding of the peculiar materials and interfacial properties that lead to such unprecedentedly high performances. The job will mainly involve simulation of the pristine materials in the form of bulk and various nanostructures and related heterointerfaces with prototype n- and p-type substrates such as TiO2, fullerene and hole transporters. The employed methods will be mainly rooted onto DFT, plane-wave pseudopotential approaches; DFT-based molecular dynamics (e.g. Car-Parrinello) and GW methods including spin-orbit coupling. A strong interaction with experimental activities carried out in the framework of various international collaborations is also envisaged.

A PhD in Chemistry, Physics or Materials science is required. In addition, the candidate is expected to have a very strong, internationally competitive background, with previous experience in modeling organohalide perovskites and their interfaces for solar cells applications, which background should also be demonstrated by several previous publications in the field. Strong expertise in DFT, Car-Parrinello and possibly GW methods should also be clearly demonstrated.

The estimated start date of the contract is September 1st 2016.  Salary and benefits will be in line with international standards. The successful candidate will work under the supervision of Dr. Filippo De Angelis and carry out research activities through the Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO, www.clhyo.org) at CNR-ISTM, Perugia, Italy.

Interested applicants should submit CV, list of publications, a statement of research interests and names of 2 references to [email protected] quoting “CNR-ISTM postdoc” in the e-mail subject.

Please apply before July 31, 2016.




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