A four-years PhD position is available in the group of Computational Materials Science at the department of Chemistry of the University of Zurich Switzerland (Iannuzzi’s group) on an interdisciplinary project combining synthetic chemistry, surface and materials chemistry, catalysis, spectroscopy and computational chemistry to discover and develop supported catalysts and reaction conditions that enable the selective hydrogenation of CO₂ to higher alcohols.

The PhD student will be associated with the theoretical group to model the structure and the dynamics of the catalytic systems under a wide range of reaction conditions using ab initio molecular dynamics and related approaches, to establish correlations between catalytic reactions and the structural and electronic properties of materials, also using of theoretical spectroscopy. The ultimate goal, in close collaboration with the experimental groups, is to develop guiding principles and identify descriptors that relate the calculated structure to experimental reactivity (structure-activity relationships) to guide the selection of next best systems.

PhD Profile: We are looking for a highly motivated PhD student with a background in physics, chemistry or materials science who is willing to develop and apply state-of-the-art theoretical methods for the investigation of spectroscopic properties and electronic dynamics of advanced materials. Experience in programming and using electronic structure calculation software is desirable.

Starting date: The position is available immediately, starting date to be agreed. Interested candidates should send a cover letter, curriculum vitae, research statement and names and email addresses of possible referees to [email protected]

Please send your application as a single pdf file.