The Theory and Simulation groups at the Institute of Materials Science of Barcelona (ICMAB-CSIC) and at the Catalan Institute of Nanoscience and Nanotechnology (ICN2) are offering a postdoctoral position in the area of simulations of battery interfaces under bias. The position is supported by the H2020 project BIG-MAP (Battery Interface Genome – Materials Accelerated Platform), part of the Battery 2030+ initiative. The position is funded initially for one and a half years. It could be extended upon availability of funding.
The successful candidate will harness and further develop methodological advances based on Density Functional Theory and the non-equilibrium Green's function approach, as implemented in TranSiesta, to model at a molecular level the electrochemical interface, including the study of chemical reactions in the presence of voltage bias and charge transport.
Administratively, the position will be at CSIC, under the supervision of Dr. Alberto García and Prof. Rosa Palacín (P.I.) but the work will involve close collaboration with Prof. Pablo Ordejón and his group at ICN2.
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