Computational Materials Science – AI for Catalysis

Research fields: Applied Artificial Intelligence; Materials Science; Theory and Simulation based on DFT; Multiscale Methods; Nanostructures and Nanodevices

ICN2-PF1

Applicants are invited to propose a research project around the development of AI models for predicting promising catalyst candidates to integrate molecular modelling techniques, experimental data bases and materials data bases together with novel AI tools.

For further information, please read the Position Description and visit the ICN2, Australian National University and Fundació Eurecat websites.

Pablo Ordejón

Professor Pablo Ordejón

Ivan Cole

Professor Ivan Cole

Pol Torres

Dr Pol Torres Alvarez