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RequestUpdated on 23 April 2026

MSCA-PF Candidates in Computational Catalysis (DFT/ML)

Pablo Lustemberg

Senior Researcher (Tenured Scientist) – Computational Catalysis, ICP-CSIC at Institute of Catalysis and Petrochemistry

Madrid, Spain

About

I am seeking highly motivated candidates interested in applying for a Marie Skłodowska-Curie Postdoctoral Fellowship (MSCA-PF) in the field of computational catalysis.

Ideal candidates should have a strong background in computational chemistry, surface science, catalysis, or related disciplines, with solid experience in Density Functional Theory (DFT). Experience with plane-wave codes (e.g., VASP), transition state methods (NEB), or machine learning approaches for materials modeling (e.g., MLFF, global optimization) is highly desirable.

Research interests should align with oxide–metal interfaces, particularly ceria-based systems, and topics such as CO₂ hydrogenation, methane activation, and reaction mechanism analysis.

Candidates should demonstrate strong analytical skills, ability to work in an interdisciplinary environment, and motivation to develop an independent research profile. Interest in collaborating with experimental groups and engaging in theory–experiment integration is essential.

Support will be provided for proposal preparation, including project design, training plan, and MSCA-specific sections (impact, career development, dissemination).

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