IMDEA Materials Institute’s Computational and Data-driven Discovery Group seeks a Research Assistant to work on novel computational, 'Big Data' and 'Materials Genome' tools for discovery of nanoporous materials for energy applications.


Ref. num. NMGC1_MH_RA01

Research assistant (PhD student) in computational and data-driven nanoporous materials discovery

IMDEA Materials Institute is a public research organization founded in 2007 by Madrid’s regional government to carry out research of excellence in Material Science and Engineering by attracting talent from all over the world to work in an international and multidisciplinary environment. IMDEA Materials has grown rapidly since its foundation and currently includes more than 120 researchers from 17 nationalities and has become one of the leading research centers in materials in Europe which has received the María de Maeztu seal of excellence from the Spanish government. The research activities have been focused in the areas of materials for transport, energy, and health-care and the Institute has state-of-the-art facilities for processing, characterization and simulation of advanced materials. More information can be found at


IMDEA Materials Institute’s Computational and Data-driven Discovery Group seeks to fill a PhD student position starting in Fall 2019. A successful candidate will work on a project which involves development and applications of novel computational tools to accelerate discovery of advanced nanoporous materials for various energy applications. The project will involve a close collaboration with a number of top-tier universities in the USA.

The exact scope of the to-be-pursuit project will be determined on the basis of current needs as well as the previous experience, skills and interests of the successful candidate. For example, it may involve optimization-based materials design, similarity-based materials screening, data and structure mining of material databases, structure prediction and enumeration, development of software and web-based tools for materials analysis etc.


Candidates holding a Master of Science degree in material science, chemistry, crystallography, chemoinformatics, physics, applied math, statistics or computer science are welcome to apply. However, experience in at least one of the following is necessary: computational chemistry/materials modeling tools (e.g. electronic structure, molecular simulations, chemoinformatics), practical knowledge of a common programming language (e.g. C++, Python), statistical analysis/machine learning tools or computational geometry/applied topology tools. This required experience needs to be demonstrated by, for example, a completed dissertation, a scientific publication, a working open-source software etc.

Moreover, it is expected that the successful candidate will be independent, creative, curiosity-driven, motivated to explore solutions to difficult scientific problems, and have strong work ethics. Excellent academic credentials will be highly regarded. Strong communication skills in English (both spoken and written) are necessary in this position.


Contract with full social security coverage. Gross Salary depending on qualifications.


The Institute is committed to equal opportunities for men and women and the promotion of a healthy work environment and work-life balance.

Besides on-the-job technical training, IMDEA Materials Institute is committed to training the Institute’s scientists and staff in “soft” or transversal skills. See the available training here.

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