The Chemical Sciences and Engineering Division at Argonne National Laboratory invites applications for a regular, full-time Assistant Computational Chemist / Chemical Engineer position. The successful candidate will lead and contribute to computational research in electrocatalysis and heterogeneous catalysis, working closely with experimental collaborators to advance fundamental understanding and catalyst design.

This role involves conducting multiscale modeling, spectroscopy simulations, and the development of machine learning methods and automated workflows for multi-fidelity, multiscale, and multiphysics simulations. The research will be closely integrated with corresponding experimental efforts.

**Key Responsibilities**

+ Perform computational studies in electrocatalysis and heterogeneous catalysis
+ Develop and apply multiscale modeling approaches to catalytic systems
+ Conduct spectroscopy simulations, including techniques such as XANES, EXAFS, an...