The Computational Nanoelectronics Group (www.nano-tcad.ethz.ch) at the Integrated Systems Laboratory (www.iis.ee.ethz.ch) of ETH Zurich is developing and applying advanced simulation tools to investigate the properties of nanoscale devices. For a research project on Lithium-ion batteries supported by the European Research Council (ERC), we are looking for a 

Ph.D. student in atomistic modeling of Lithium-­ion batteries (100%)

Job description: improving the storage capacity of rechargeable batteries belongs to the category of lifechanging projects. In Europe, the transport sector is responsible for 25% of the energy consumption and 23% of the CO2 emission. All-electrical vehicles producing zero carbon emission during their use phase could change this paradigm, provided that high-capacity storage units are available. Lithium-ion batteries (LIBs) are becoming serious candidates for such automotive applications, but first, their energy and power densities should be increased, their cost reduced, and their lifetime extended. The key to reach these objectives consists in selecting the best anode and cathode materials that can accommodate high lithium concentrations, support large morphological changes, and provide a good ion diffusivity and electron conductivity. Instead of fabricating dozens of electrode samples, testing, and characterizing them, a simulation tool can be used to more rapidly explore large design spaces and identify the material(s) with the most promising characteristics. The goal of this research project is therefore to apply the density-functional theory (DFT), a first-principles and powerful technique, to the simulation of lithium ion battery electrodes atom by atom. The focus will be set on their electrical conductivity, on the factors that enhance and deteriorate it, and on heat generation/dissipation. All these effects will be studied via an ab-initio quantum transport approach that has been developed in the Computational Nanoelectronics Group and is further improved there. This work will be performed in parallel with another Ph.D. student who will generate electrode structures and extract ion diffusivity from them.

Applicants should have a Diploma or Master degree in electrical engineering, physics, material science, computational chemistry or in a related discipline, good programming skills, interests in physics-based modeling, and knowledge about Li-ion batteries. Experience with a density-functional theory tool such as VASP, Quantum ESPRESSO, OpenMX, Siesta, or CP2K is desired.

We offer an exciting and challenging activity in a team of highly motivated physicists and electrical engineers and a salary according to the standard of ETH Zurich. The participation to international conferences and the collaboration with industry and academia is strongly encouraged and supported.

Starting date: As soon as possible and not later than December 1st 2015

For further information, please contact Prof. Mathieu Luisier, [email protected]

Please send your application including CV, list of references, university grades, short description of your master/diploma thesis, and statement online at http://www.jobs.ethz.ch.