Offer Description
The position is funded within the DOMMINO project, a bilateral research collaboration between ICMAB-CSIC and Imperial College London aimed at generating fundamental knowledge for the development of next-generation organic energy technologies, including organic solar cells, thermoelectrics and electronic devices.
We offer a postdoctoral position in computational materials science within the DOMMINO project, a collaborative project between ICMAB-CSIC (Spain) and Imperial College London (UK) aimed at advancing organic energy technologies and coordinated by Prof. Mariano Campoy-Quiles (ICMAB-CSIC). The successful candidate will lead theoretical and computational activities concerned with the structure–property relationships that control electrical transport and thermal transport in organic semiconductors, the coupling between these, and the mechanisms of doping organic semiconductors. The successful candidate will work closely with experimental and theoretical partners across the consortium. They will be co-supervised by Prof. Jenny Nelson (Imperial College London), and Dr.



Riccardo Rurali (ICMAB-CSIC).
Main tasks
- Develop atomistic and coarse-grained models of the structure and dynamics of molecular semiconductors, including conjugated polymers.
- Perform molecular dynamics simulations to investigate structural organization and molecular connectivity.
- Carry out electronic-structure calculations to explore the impact of structure on electronic properties and charge transport mechanisms.
- Calculate the thermal conductivity of systems of interest using molecular dynamics models.
- Develop and validate theoretical models exploring the connection between thermal conductivity and electronic mobility in different classes of material.
- Study the mechanism of polaron formation and dynamics, including the role of doping, and its influence on electronic and thermal transport.
- Collaborate with experimental researchers to interpret electrical and thermal tr

📌 Postdoctoral position in Modelling of Organic Materials (España)
🏢 Euraxess
📍 España