Postdoctoral Position in Electronic Structure Theory, Ultrafast Science, and Heterogeneous Catalysis at Lawrence Berkeley National Laboratory Lawrence Berkeley National Laboratory in United States

Lawrence Berkeley National Laboratory (Berkeley Lab) is seeking a postdoctoral researcher in electronic structure theory, ultrafast science, and heterogeneous catalysis. The position is based in the Chemical Sciences division and supervised by Principal Investigator Jin Qian. This opportunity is ideal for candidates interested in the development and application of advanced theoretical chemistry tools to investigate ultrafast and quasi-equilibrium phenomena in large, complex interfacial systems.

The research focuses on bridging time and length scale gaps for non-equilibrium phenomena, with computational results expected to be compared with X-ray spectroscopy and pump-probe spectroscopic observations. Responsibilities include performing computational investigations of ultrafast charge transfer and non-equilibrium phenomena in solid/solid, solid/liquid, and solid/gas interfacial systems. The role also involves code implementation of spectroscopic modules in electronic structure theory software packages, such as those for Core Level, Infrared, and Raman Spectroscopy, using programming languages like Python or Fortran.

Candidates will leverage in-house core-level spectroscopy data (e.g., X-ray Photoelectron Spectroscopy, X-ray Adsorption Spectroscopy) and chemistry domain knowledge to develop unified mechanistic explanations connecting theory and experiment. The position offers a collaborative environment with both theorists and experimentalists, and encourages active publication in peer-reviewed journals.

Applicants must hold a Ph.D. in Chemistry, Physics, Materials Science, or a related field. Required expertise includes density functional theory, molecular dynamics (ab-initio MD and/or nonadiabatic MD), kinetic modeling, and machine learning interatomic potential (MLIP) accelerated simulations. Proficiency in coding (Fortran, Shell, or Python), deep knowledge of excited states and ultrafast phenomena, and experience with electronic structure theory codes (e.g., VASP, QE) are essential. Experience working with experimentalists and understanding experimental observations is expected. Knowledge of spectroscopy and a background in heterogeneous catalysis are highly desirable. Applicants must have less than 3 years of paid postdoctoral experience.

This is a full-time, 2-year postdoctoral appointment with the possibility of renewal based on performance and funding. The position is fully funded, with a salary range of $69,084 to $82,836, determined by years of postdoctoral experience and union contract step rates. The position is represented by a union and includes standard benefits. Work will be primarily performed at Lawrence Berkeley National Laboratory, Berkeley, California.

Priority consideration will be given to candidates who apply by March 13, 2026. Applications will be accepted until the job posting is removed. For more information and to apply, visit the official job posting on the Lawrence Berkeley National Laboratory careers portal.

Berkeley Lab is an Equal Opportunity Employer and values diversity in its community. All qualified applicants will be considered for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability, age, protected veteran status, or other protected categories under State and Federal law.