Associate Research Scientist, Initiative for Computational Catalysis

Associate Research Scientist position in the Flatiron Institute's Initiative for Computational Catalysis (ICC), which develops computational techniques for the rational design of more efficient and affordable catalysts. The ICC, co-directed by Angel Rubio and Timothy Berkelbach, works on molecular and solid-state electronic structure theory, statistical mechanics and enhanced sampling, and machine learning for chemistry and materials science, aiming at quantitative predictions of catalysed reactions relevant to the energy transition.

Associate Research Scientists develop theoretical concepts, algorithms and codes to study the electronic structure and molecular dynamics of homogeneous, heterogeneous and enzyme catalysis, run their own research programmes and collaborate with ICC scientists and fellows. The initial appointment is three years, renewable for up to three more, with an annual salary of $130,000 to $165,000. Applications received by December 1, 2026 receive full consideration; review continues on a rolling basis.

PhD in a related field with postgraduate research experience (typically two to six years) in theoretical chemistry or a related area. Application: CV, research statement covering past accomplishments and a vision for research at the ICC, and three letters of recommendation.