PhD Position in Computational Electrocatalysis

Applications are invited for a PhD position in computational electrocatalysis in the Alexandrov Group at the University of Nebraska‑Lincoln, USA ((Use the "Apply for this Job" box below).), which is available immediately. The project will focus on developing a deeper mechanistic understanding of the activity‑stability properties of water‑splitting electrocatalysts. This is a highly interdisciplinary project that will include DFT calculations, ab initio molecular dynamics and machine learning simulations in close collaboration with experimental partners.

• A degree in chemistry, physics, materials science, or a related field.
• Solid background in electronic structure theory, solid state physics, theoretical chemistry. Good knowledge of electrochemistry is a plus.
• Programming experience (preferably in Python), as well as familiarity with Linux and high‑performance computing.
• Excellent problem‑solving skills and ability to work both independently and in a diverse team.

• A highly intellectually stimulating environment with close scientific mentoring.
• Ability to collaborate with national and international collaborators.
• A range of training opportunities including participation in scientific conferences and summer schools/workshops.
• Access to state‑of‑the‑art high‑performance computing facilities.

Our graduate students are highly successful in their further careers, continuing their research as postdoctoral researchers at leading US universities and national laboratories, as well as securing faculty positions or industrial jobs.

Interested candidates should send e‑mail with their resume and representative publications to valexandrov2|unl.edu.
NOTE THAT E‑MAIL ADDRESSES HAVE BEEN MODIFIED!!! All @ signs were changed to | to fight spam. Before you send e‑mail, you need to change | to @. For example: change joe| to

Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at