There is a post-doctoral opening at the University of Illinois and the National Center for Supercomputing Applications, in the field of first-principles simulation of materials and processes for solid oxide electrolysis cells.  The position is in the groups of Profs. Elif Ertekin and Narayan Aluru.

Subject of Work. This opening is part of our NSF PIRE program entitled "Integrated Computational Materials Engineering for Active Materials and Interfaces in Chemical Fuel Production". This international program is founded on computational work carried out at the University of Illinois and the National Center for Supercomputing Applications, USA in close collaboration with experimental work occurring at Kyushu University, Japan.  Possible topics include:

• Investigating strain effects on oxygen ion diffusion in nickelate and manganite materials - This effort focuses on identifying how strain engineering can be used to tailor and control diffusion pathways in complex oxides.  Designer materials, Ruddlesden-Popper structures, etc for which strain can be used to control octahedral tilts and tailor diffusion pathways and mechanisms are of interest. 

• Novel proton conducting materials: design and discovery of new materials exhibiting mixed proton and electronic conduction.  While there are several examples of mixed ionic/electronic conductors for oxygen ion transport, there are comparatively few examples of mixed ionic/electronic proton conductors. Our effort in this area will be to understand the mechanisms and criteria that enable MIEC behavior in proton conducting systems, and the development of a computational framework for new materials discovery.  

• Computational design and optimization of oxygen ion conducting electrode and electrolyte materials, with emphases on optimizing defect chemistry, dopability, and ion transport.  Statistical learning and data mining approaches are of interest.

The applicant should have experience in several of the following areas: (i) chemical reaction dynamics, transport simulations, total energy calculations, (ii) density functional theory and other electronic structure methods, (iii) statistical learning and data mining approaches, (iv) high performance computing.

Strong communication skills are required.  This project involves close collaboration with experimentalists, so a history of collaborations with synthesis and or characterization groups are of key importance.

Other Details. While the position is primarily based in Illinois, the post-doctoral associate will also travel annually to Kyushu University as part of the international collaboration.  The researcher will be engaged with an extended research team including Dr. Elif Ertekin, Dr. Narayan Aluru, Dr. Petros Sofronis, Dr. Sharon Hammes-Schiffer, and Dr. Dallas Trinkle at Illinois.  In addition, the researcher will be actively engaged with our experimental counterparts at Kyushu University in Japan (Profs. Tatsumi Ishihara, Hiroshige Matsumoto, and Nicola Perra).  

Requirements. Please send your application to [email protected], with subject “PIRE post-doctoral application".  Applications should include a (1) CV, (2) Statement of previous research experience and continuing research interests, and (3) the names of three references.  

Applications will be reviewed as they are received until the position is filled.  Start date is negotiable, but can be in the late fall 2016 or early winter 2017.