|Location:||Lyngby - Denmark|
|Funding for:||UK Students, EU Students, International Students|
|Funding amount:||Not Specified|
|Placed On:||12th March 2019|
|Closes:||5th April 2019|
A PhD position is offered at the Department of Energy Conversion and Storage (DTU Energy) in connection with the European Magnesium Interactive Battery Community (E-MAGIC) project.
E-MAGIC gathers key scientific researchers in Europe to develop foundational approaches on Rechargeable Magnesium Batteries (RMB), bringing an effective work on Research and Development by a rational design of novel cathodes and electrolytes to overcome the rate-limiting reactions, and deliver a safe RMB with energy density of 450 Wh kg-1 at 100 €/Kwh.
E-MAGIC is a European consortium formed by Cambridge University, Karlsruhe Institute of Technology, Deutsches Zentrum für Luft- und Raumfahrt (German Aerospatiale centre), Bar-Ilan University and Technion (Israel), CEA (France), Abengoa, CIDETEC and ICMAB-CSIC (Spain).
Modelling of cathode and electrolyte materials for Mg-ion and Mg-Sulfur batteries
The PhD will perform accelerated screening and discovery of materials relying on Density Functional Theory (DFT) calculations to find high voltage cathode inorganic materials, efficient solid electrolytes and new electrolyte solutions for Mg-ion batteries. The search for new materials will be aided by Machine Learning algorithms trained on data sets produced by DFT calculations. The DFT calculations will be coupled to other techniques, such as the Nudged Elastic Band (NEB) method (for the simulations of Mg2+ ions diffusion, both in cathode and solid electrolyte inorganic materials), Cluster Expansion (e.g. to determine open circuit voltages), and Molecular Dynamics (to account for solvation energies in electrolyte solutions). In addition, simulations of complex process in Mg-sulfur batteries, such as the formation of magnesium polysulfides in the electrolyte or the electron conductivity in the sulfur-carbon cathode composite, will be carried out.
The projects will be carried out in close collaboration with leading international computational and experimental groups, as well as industry, and the employment will be at DTU Energy in Kgs. Lyngby (Greater Copenhagen area).
Candidates should be highly motivated and have ideally a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree, preferably in physics, nanoscience, chemistry or computational science.
The successful candidate:
We favor candidates with experience in materials physics, chemistry, electrochemistry, artificial intelligence and related areas.
The assessment of the applicants will be made by: Head of Section, Professor Tejs Vegge and Associate Professor Juan Maria García Lastra
Salary and appointment terms
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union. The period of employment is 3 years.
You can read more about career paths at DTU here.
The employments are expected to start June 1st 2019 or soon thereafter.
If you need further information concerning this position, please contact Project manager, Associate Professor Juan Maria Garcia Lastra at firstname.lastname@example.org.
Please do not send applications to this e-mail address, instead apply online as described below.
We must have your online application by 5 April 2019.
To view the full announcement and to apply: www.career.dtu.dk
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