Postdoc in Computational Design of Ion Conductors

bizkaia:talent - CIC Energigune

This job is brought to you by bizkaia:talent, a non-profit organization funded by the Department for Economic Development of the Provincial Council of Bizkaia. Its main objective is to attract highly skilled professionals to the Basque Country by connecting them with the opportunities within the leading innovation and technology companies and universities there.

Company description

CIC Energigune is a Cooperative Research Centre founded in 2007 with its headquarters in the Basque Country. Created thanks to the investments of the Basque Government and several leading companies in the energy sector, it aspires to become a true international leader in the field of energy and contribute to the industrial competitiveness of Basque companies.

Main functions

The Computational Group at CIC Energigune is searching for a postdoctoral researcher to be involved in combining machine learning algorithms with data from quantum-mechanical and molecular dynamics simulations in order to screen fast ion conductors for battery materials. The candidate will join a multidisciplinary and collaborative team of theorists and experimentalists from condensed matter, materials, and chemical sciences. Therefore, the successful candidate must be able to effectively communicate with a variety of audiences.


Candidate’s expected profile:

  • We are searching for a highly motivated and independent researcher with a PhD in Physics, Chemistry, Materials Science, or other related topics.
  • The candidate shall possess a strong background (ideally two years of previous experience as demonstrated, for instance, by first author publications) in Solid-State Physics/Chemistry and Quantum Chemistry, in particular, molecular quantum mechanics, statistical mechanics, and molecular simulation methods applied to inorganic solids or polymers.
  • Good expertise in density functional theory electronic structure calculations with extensive experience with codes such as VASP, FHI-aims, or CASTEP is required. Experience with classical molecular dynamics simulation will be an asset.
  • Experience with machine learning algorithms and/or network science is strongly preferred.
  • The candidate should also be able to work independently and as part of a team, as well as have very good English skills.


This is a full-time, 3-year postdoctoral appointment with the possibility of renewal based upon satisfactory job performance, continuing availability of funds, and ongoing operational needs. The position is expected to start during the beginning of 2018.

CIC Energigune is a renowned energy research center, with headquarters in the Basque Country (Alava, Spain), which aims to be a benchmark in the field of energy storage.

Bizkaia talent offers a range of services, such as dual career support for those individuals who are coming to the region on a work contract, and also advice to those who are considering Basque Country as their next work destination.

To apply for this post, please click on the Apply button below, which will direct you to the bizkaia:talent website. From there, you will be able to register your details and apply for the job.

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