PhD Research Fellowship in Computational Catalysis

Available PhD position at the Molecular Design of Catalysts group of the Instituto de Tecnología Química, Universidad Politécnica de Valencia – Consejo Superior de Investigaciones Científicas, within the framework of Severo Ochoa Excellence Program. The candidate will apply computational methods including density functional theory (DFT), ab initio molecular dynamics (AIMD) simulations and machine learning (ML) techniques to design specific heterogeneous catalysts for the efficient transformation of greenhouse gases and other pollutants, such as CO2, CH4, NOx and N2O