Postdoctoral Fellow in Computational Materials - Lawrence Berkeley National Laboratory, Persson group


Seeking postdoctoral fellow to predict and optimize novel energy storage materials and concepts

The group of Prof. Kristin Persson within the Energy Technologies Area (ETA) has an opening for a postdoctoral fellow. We are looking for someone with the desire and imagination to drive novel methods in computational materials design, particularly focused on novel energy storage materials, broadly spanning both liquids, solids and interfaces.


  • Develop novel methods in computational materials design, focused on prediction and optimization of novel energy storage materials and concepts.

  • Compile data into research databases and perform first-principles calculations using e.g. VASP, Abinit, etc.

  • Perform calculations to predict thermodynamic and kinetic properties.

  • Develop codes as necessary to interface with existing Materials Project high-throughput and data storage frameworks.

  • Prepare and develop research materials for publications, reports, and presentations.

  • Based on research and analytical findings, write and publish reports.



  • A recent Ph.D. in physics/chemistry/materials science or a related field.

  • Experience in electronic structure calculations.

  • Excellent object-oriented code development expertise.

  • Excellent written communication skills.

  • The ability to work as an independent researcher with a high level of scientific judgment and initiative.

  • Participation in collaborative efforts as a member of a diverse research team.


  • Python programming experience.

  • Database development experience.

  • Experience with datamining / statistical learning.

  • Demonstrated ability to support Principal Investigators in preparing proposals and project management.

Applicants are encouraged to send a cover letter and a CV in pdf format to

As long as there is a link to this post on applications are still welcome.