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.
Please send applications to: k.niraj6@gmail.com
Last Date to Apply
Candidates should apply by March (exact date to be determined), with some flexibility for exceptional candidates for later start dates.
