Lawrence Berkeley National Lab’s (LBNL) Chemical Sciences Division has an opening for a Postdoc in Large-scale Electronic Structure Theory to join the team. We aim to prepare the candidate to become a successful, independent PI in the national lab setting or an equivalent, prestigious academic position.  

This position provides a unique opportunity for large-scale electronic structure theory development and applications, that broadens the perspective of the candidate for a comprehensive understanding of solid/liquid, solid/gas interfacial systems that is key in many renewable energy applications, i.e. light-driven catalysis, plasmonic, and photovoltaic. A particular interest will be developing and applying large-scale electronic structure theory methods (such as tight-binding models) to bridge the length scale gap. Collaboration with experiments is also a highlight. 

What you will do:

● Development of tight binding (TB) models of DFT and TDDFT.
● Application of TB methods to investigate photo-driven processes in realistic solid/liquid, solid/gas interfacial systems.
● Implementation and application of constrained-DFT (c-DFT) to study ultrafast charge transfer events for large systems.
● Actively publish in peer-reviewed journals and contribute to scientific research papers and reports.
● Lead in a collaborative environment, including both theorists and experimentalists.
● Actively participate in lab management, including managing computational resources, writing fellowships, and relationship management.

Requirements:

● Ph.D. in Physics, Chemistry or Materials Science.
● Track records of developments of electronic structure theory code and software, preferably in DFTB+ or equivalent software.
● Knowledge and interests in photocatalysis or catalysis, experience with VASP or equivalent software.
● Experiences working closely with experimentalists and understanding experimental observations.
● Usage of ASE, Atomate, etc. for efficient pipelines.

Berkeley Lab is committed to Inclusion, Diversity, Equity and Accountability (IDEA) and strives to continue building community with these shared values and commitments. Berkeley Lab is an Equal Opportunity and Affirmative Action Employer. We heartily welcome applications from women, minorities, veterans, and all who would contribute to the Lab's mission of leading scientific discovery, inclusion, and professionalism. In support of our diverse global community, all qualified applicants will be considered for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability, age, or protected veteran status.

Equal Opportunity and IDEA Information Links:

Know your rights, click here for the supplement: Equal Employment Opportunity is the Law and the Pay Transparency Nondiscrimination Provision under 41 CFR 60-1.4.

Interested candidates may email [email protected] (https://qiangrouppage.lbl.gov/) with CV and Cover Letter attached. The search committee will be composed of 2 theorists and 1 experimentalist.