ICMAB Open Positions

Open Postdoc Position: first-principles simulations of battery interfaces within the BIG-MAP Project

Deadline: Mar 31, 2022

A position for a Postdoc Researcher is now available to work in first-principles simulations of battery interfaces under bias as part of ICMAB-CSIC and ICN2.

20 January 2022
BIG-MAP Open Position

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), which combines simulation, experiments, and artificial intelligence techniques.


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 an atomistic level the electrochemical interface, including the study of chemical reactions in the presence of voltage bias and charge transport.

Outstanding candidates are sought with the following qualifications and requirements:

  • Proven record of significant research contributions in the atomistic modeling of materials.
  • Proficiency in scientific software development and high-performance computing.
  • PhD in physics, chemistry, materials science or a related field.
  • High-level proficiency in English.

About the position

Administratively, the position will be at CSIC, under the supervision of Dr. Alberto García and Prof. M. Rosa Palacín (P.I.) but the work will involve close collaboration with Prof. Pablo Ordejón and his group at ICN2. CSIC is an institution subject to the general hiring procedures of the Spanish public administration, which involve an extra period of paperwork after the identification of a candidate.

The position is available immediately, and will start as soon as the appropriate candidate is selected and approved by the CSIC administration.

Salary will depend on qualifications and demonstrated experience following the CSIC scales. 

Contact information

For more information, please contact Dr. Alberto García at: This email address is being protected from spambots. You need JavaScript enabled to view it..

To apply, please send a single PDF document to the above address, using the subject: "BIG-MAP postdoc application". The PDF should contain a CV, a motivation letter, and the names of two references willing to write letters of recommendation.

Applications will be continuously reviewed. Shortlisted candidates will be invited for interview (possibly online).


The Institute of Materials Science of Barcelona (ICMAB-CSIC) is a multidisciplinary research center focused on cutting-edge research in functional advanced materials in the fields of ENERGY, ELECTRONICS, NANOMEDICINE and application fields yet to imagine. Our R&D activities are strongly backed up by state-of-the-art scientific instrumentation and specialised technical staff available in our scientific services. We are ready and able to deploy R&D activities at the forefront of international knowledge.

The ICMAB is integrated within the Barcelona Nanocluster in Bellaterra (BNC-b), a research network that includes the UAB, the CSIC (ICMAB, IMB-CNM and ICN2) and IRTA, part of the UAB Research Park of the Universitat Autònoma de Barcelona (PRUAB) and the ALBA Synchrotron. The BNC-b aims to share advanced scientific equipment and promote and disseminate nanoscience and nanotechnology.


The Battery Interface Genome – Materials Acceleration Platform (BIG-MAP) project is part of the large-scale and long-term European research initiative BATTERY 2030+. Here, we propose a radical paradigm shift in battery innovation, which will lead to a dramatic speed-up in the battery discovery and innovation time; reaching a 5-10 fold increase relative to the current rate of discovery within the next 5-10 years. BIG-MAP relies on the development of a unique R&D infrastructure and accelerated methodology that unites and integrates insights from leading experts, competences and data across the entire battery (discovery) value chain with Artificial Intelligence (AI), High Performance Computing (HPC), large-scale and high-throughput characterization and and autonomous synthesis robotics. In short, BIG-MAP aims to reinvent the way we invent batteries and to develop core modules and Key Demonstrators of a Materials Acceleration Platform specifically designed for accelerated discovery of battery materials and interfaces.

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 957189.
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