The Mechanics of Materials group of IMDEA Materials Institute is looking for a Research Associate to work on the design of new catalysts through elastic strain engineering


Ref. num. MoM_JLL_PD01

Post-doctoral research associate on catalyst design by first principles simulations

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 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 transpor, 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


Research activities will be focussed on the application of first principles simulations and machine learning algorithms to explore the influence of large elastic strains of the catalytic properties of metallic surfaces. The final goal is to develop a high-throughput methodology to design new metallic catalysts taking into account the effect of mechanical deformations.


Candidates should hold a PhD in Computational Materials Science, Physics, Chemistry or related discipline with excellent academic credentials and a strong commitment to develop an academic career in an international and multidisciplinary environment. Fluent English (written and oral) and expertise in DFT is required while experience in Monte Carlo, cluster expansion and transition state theory will be valued.


Full time contract including  social security coverage. Salary depending on previous experience and credentials

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

Meet our some of our alumni.