Postdoctoral Position in Modelling of Organic Materials (DOMMINO Project) Institut de Ciència de Materials de Barcelona in Spain

ICMAB-CSIC is offering a postdoctoral position in Modelling of Organic Materials within the DOMMINO project, a bilateral collaboration between ICMAB-CSIC and Imperial College London focused on the development of next-generation organic energy technologies. The project spans organic solar cells, thermoelectrics, and electronic devices, and sits at the interface of computational chemistry, materials science, and soft-matter physics.

The successful candidate will join the Nanostructured Materials for Optoelectronics and Energy Harvesting department and lead theoretical and computational work on structure-property relationships in organic semiconductors. The research will address electrical transport, thermal transport, their coupling, and the mechanisms of doping in organic semiconductors. The postdoctoral researcher will work closely with experimental and theoretical partners across the consortium and will be co-supervised by Prof. Mariano Campoy-Quiles, Prof. Jenny Nelson, and Dr. Riccardo Rurali.

Research tasks include developing atomistic and coarse-grained models of molecular semiconductors and conjugated polymers, running molecular dynamics simulations, carrying out electronic-structure calculations, and estimating thermal conductivity. The project also includes theoretical work on polaron formation and dynamics, the role of doping, and the connection between thermal conductivity and electronic mobility across different classes of materials. The appointed researcher will help interpret electrical and thermal transport experiments, support other consortium members with molecular modelling, and disseminate findings through publications and conference presentations.

This is a full-time postdoctoral research contract at ICMAB-CSIC with secondments at Imperial College London. The contract duration is 20 months, with the possibility of extension up to 35 months total depending on project funding and performance. The starting gross annual salary is 49,068.72 EUR, with any applicable CSIC salary updates. The position is based in Bellaterra, Barcelona, Spain.

Applicants should hold a PhD in Physics, Chemistry, Materials Science, Chemical Engineering, or a related discipline, and should bring strong expertise in molecular modelling, atomistic simulations, molecular dynamics, electronic structure methods such as DFT, programming, and data analysis. Excellent English and the ability to work in an international, multidisciplinary environment are essential. Experience in organic semiconductors, conjugated polymers, charge transport, thermal transport, multiscale modelling, and HPC is particularly valued.

To apply, candidates should submit a single PDF containing a motivation letter with a one-page research statement, a CV with publication list and certificates, and the contact details of three referees. Applications must be submitted through the ICMAB recruitment portal before 20 September 2026. Shortlisted candidates will be interviewed and may be asked to present their profile at the CSIC Bolsa de Trabajo.