Computational Chemistry Postdoc: The Blau Group at Berkeley Lab is inviting applications for multiple highly motivated postdoc candidates. This is an opportunity to engage in cutting-edge research in machine learning interatomic potentials (MLIPs), high-throughput workflows, chemical reaction networks, generative models, and open-source software development.
Postdoctoral Researcher: ML + Computational Chemistry Postdoc
Designation
Postdoctoral Researcher
Research Area
- Machine Learning in Computational Chemistry
- Chemical Reaction Networks
- Battery Electrolytes
- Catalysis
- CO2 Capture
- Nuclear Nonproliferation
Location
Berkeley Lab, University of California
Eligibility/Qualification
- A Ph.D. in Chemistry, Physics, Materials Science, or a related field.
- Strong background in MLIPs and high-throughput workflows.
- Experience in DFT/MLIP simulations and automated exploration of chemical reaction networks.
- Ability to work independently and collaboratively.
Job Description
As a postdoctoral researcher, you will:
- Conduct high-throughput MLIP molecular dynamics simulations for various systems, including liquids, polymers, and molecular crystals.
- Explore condensed phase chemical reaction networks and engage in kinetic modeling.
- Train, fine-tune, and distill MLIPs, combining datasets across different system types and levels of theory.
- Perform DFT/MLIP simulations to analyze experimental spectra (XPS, IR/Raman) and nonadiabatic dynamics.
- Deliver novel atomistic insights validated by experimental findings to accelerate real chemical discovery.
How to Apply
Interested candidates should submit:
- An up-to-date Curriculum Vitae (CV) in PDF format.
- A cover letter or research statement detailing research accomplishments, future research interests, career goals, and reasons for being a strong fit for the position.
- Names and email addresses of three references.
Last Date to Apply
Candidates should apply by March (exact date to be determined), with some flexibility for exceptional candidates for later start dates.
