Postdoctoral Researcher in Computational Chemistry: The Blau Group at Berkeley Lab is seeking highly motivated postdoctoral candidates to engage in cutting-edge research that targets advancements in machine learning interatomic potentials (MLIPs), chemical reaction networks, and generative models. Candidates will contribute to pioneering work aimed at accelerating chemical discovery in areas such as battery electrolytes, catalysis, CO2 capture, and nuclear nonproliferation.
Postdoctoral Researcher in Machine Learning and Computational Chemistry
Designation:
Postdoctoral Researcher
Research Area:
- Machine Learning in Computational Chemistry
- High-Throughput Workflows
- Chemical Reaction Networks
- Open-Source Software Development
Location:
Berkeley Lab, University of California, Berkeley, CA
Eligibility/Qualification:
- Ph.D. in Chemistry, Materials Science, Physics, or a related field.
- Proficiency in machine learning techniques and methodologies relevant to computational chemistry.
- Experience with high-throughput MLIP-MD simulations and kinetic modeling.
- Familiarity with DFT/MLIP simulations of experimental spectra (XPS, IR/Raman).
Job Description:
Ideal candidates will undertake the following activities:
- Conduct high-throughput MLIP-MD for various systems including liquids, polymers, molecular crystals, and interfaces.
- Automate the exploration of condensed phase chemical reaction networks, as well as perform kinetic modeling.
- Train, fine-tune, and distill MLIPs, especially integrating datasets from diverse systems and theoretical levels.
- Execute DFT/MLIP simulations to analyze experimental spectra and investigate nonadiabatic dynamics.
- Collaborate in an interdisciplinary team environment and publish research findings in high-impact journals.
How to Apply:
Interested candidates should submit the following materials:
- An updated Curriculum Vitae (CV) in PDF format.
- A cover letter or research statement detailing research accomplishments, future interests and career goals, and reasons for being a strong fit for this position.
- Contact information for three professional references.
Last Date to Apply:
Applications will be accepted until a suitable candidate is found. However, preference will be given to applications submitted before [insert specific deadline if applicable]. Candidates should be prepared to start by March at the latest, with some flexibility for exceptional applicants.
Please ensure your application is submitted using the form provided by Berkeley Lab.
