Postdoctoral Researcher in Computational Chemistry: Join the Blau Group at Berkeley Lab as a postdoctoral researcher. We are looking for multiple highly motivated candidates to advance cutting-edge research in machine learning interatomic potentials (MLIPs), high-throughput workflows, chemical reaction networks, and more, contributing to significant advancements in chemical discoveries.
Postdoctoral Researcher in Machine Learning and Computational Chemistry
Designation
Postdoctoral Researcher
Research Area
Machine Learning and Computational Chemistry
Location
Berkeley Lab, University of California, Berkeley
Eligibility/Qualification
- Ph.D. in Chemistry, Material Science, Physics, or a related field.
- Expertise in MLIPs, high-throughput MLIP-MD, and automated kinetic modeling.
- Proficient in DFT/MLIP simulations and able to validate results experimentally.
- Ability to start by March at the latest, with potential options for later start dates for exceptional candidates.
Job Description
You will engage in the following activities:
- Conduct high-throughput MLIP molecular dynamics for various systems including liquid, polymeric, and molecular crystals.
- Automate the exploration of condensed-phase chemical reaction networks.
- Train, fine-tune, and distill MLIPs, especially combining datasets from diverse systems and theoretical levels.
- Perform DFT/MLIP simulations of experimental spectra (XPS, IR/Raman) and/or non-adiabatic dynamics.
How to Apply
Interested candidates should submit the following:
- Curriculum Vitae (CV) in PDF format.
- Cover letter or research statement detailing your research accomplishments, future interests, and reasons for your fit for the position.
- Contact information for three references.
Applications can be submitted via the provided application form.
Last Date to Apply
Applications will be accepted until positions are filled, with a preference for those able to start by March. Please apply as soon as possible.








