DTU Energy at the Technical University of Denmark, DTU, invites applications for a 2-year postdoc position in the area of computational screening of materials for battery cathodes. The project is funded by the Villum foundation and is aligned with the Department focus area of batteries. The project also involves collaboration with international academic partners, e.g. the groups of Prof. Yang Shao-Horn at Massachusetts Institute of Technology, Prof. Ángel Rubio at the Max Planck Institute for the Structure and Dynamics of Matter in Hamburg, and Prof. M. Stanley Whittingham at SUNY Binghamton.

Project description
We have recently implemented constrain-density functional theory (c-DFT) combined with a Marcus theory framework in the GPAW code with the aim of studying charge transfer processes in battery cathode materials, electrolytes and cathode-electrolyte interfaces.

The successful candidate will test this new implementation and will benchmark the results against available experimental results in the literature (mainly in the field of Li-ion and metal-air batteries). In addition the successful candidate will work on improving the Marcus theory framework to make it even more efficient (e.g. by adding the Frozen Embedding Density (FDE) to the GPAW code in order to speed up molecular dynamic simulations).

The project will be carried out in close collaboration with experimental groups. The PhD project will also be linked to other computational projects working on screening of materials for metal-air batteries and development of algorithms.

Qualifications
Candidates should have a PhD degree in computational/theoretical physics, chemistry or materials science.

The successful candidate:

• Has good communication skills in English, both written and spoken
• Is able to work independently and take responsibility for progress and quality of projects
• Has enthusiasm for working in collaboration with experimental groups
• Has well-established skills to work in a team
• Has strong computer programming skills

Assessment
The assessment of the applicants will be made by: Juan Maria García Lastra, Tejs Vegge

We offer
We offer an interesting and challenging job in an international environment focusing on education, research, public-sector consultancy and innovation, which contribute to enhancing the economy and improving social welfare. We strive for academic excellence, collegial respect and freedom tempered by responsibility. The Technical University of Denmark (DTU) is a leading technical university in northern Europe and benchmarks with the best universities in the world.

Salary and appointment terms
The appointment will be based on the collective agreement with the Confederation of Professional Associations. The allowance will be agreed with the relevant union.

The employment is expected to start March 1st 2017 or shortly thereafter.

Work place
The work place will be DTU Energy, Lyngby Campus.

Further information
If you need further information concerning this position, please contact Associate Prof. Juan Maria García Lastra at [email protected]

Please do not send applications to this e-mail address, instead apply online as described below.

Application
We must have your online application by February 10th 2017. Apply online at http://www.career.dtu.dk.

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply online," fill in the online application form, and attach all your materials in English in one PDF file.

The file must include:

• A letter motivating the application (cover letter)
• CV
• Diploma (MSc/PhD - an official translation into English)
• List of publications

Candidates may apply prior to obtaining their PhD degree, but cannot begin before having received it.

Applications and enclosures received after the deadline will not be considered.

All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.

The Department of Energy Conversion and Storage is focused on education, research, and development within functional materials and their application in sustainable energy technologies. The Department, which has more than 200 employees, was founded in 2012.Additional information about the department can be found on http://www.energy.dtu.dk.

DTU is a technical university providing internationally leading research, education, innovation and scientific advice. Our staff of 5,800 advance science and technology to create innovative solutions that meet the demands of society; and our 10,600 students are being educated to address the technological challenges of the future. DTU is an independent academic university collaborating globally with business, industry, government, and public agencies.