Post-doctoral Research Associate Position in Computational Electrocatalysis

The Computer-Aided Nano & Energy Lab (CANELA) led by Prof. Giannis Mpourmpakis at the University of Pittsburgh ( has an opening for a post-doctoral research associate position in the area of computational electrocatalysis. The post-doctoral associate will use Density Functional Theory (DFT) calculations and Machine Learning to investigate the electrocatalytic behavior of metal oxides in terms of their ability to drive hydrogenation chemistries.


  • PhD in chemistry, physics, chemical engineering, materials science, or a related discipline
  • Strong background in electronic structure calculations
  • Expertise in using a variety of quantum mechanical computational packages, such as CP2K, VASP, CPMD, etc.
  • Demonstrated application of Machine Learning on computational chemistry data
  • Excellent communication skills, including the ability to write peer-reviewed journal articles and create and give oral presentations at scientific conferences

The initial appointment will be for one year and can be renewed subject to satisfactory performance. The post-doctoral associate will benefit from collaborations with experimental groups at different US institutions and other computational researchers (part of Pitt’s Center for Research Computing).

How to Apply

Qualified applicants should submit a cover letter, curriculum vitae, and the names and email addresses of three references as a single PDF document to Prof. Giannis Mpourmpakis:

The University of Pittsburgh is an Affirmative Action/Equal Opportunity Employer. Pittsburgh has been voted as one the most livable cities: