PNNL Careers

Post Doctorate RA - Interfacial Sciences & Simulation


Job Description

Job ID: 308292
Full/Part Time: Full-Time
Regular/Temporary: Temporary

Job Description

Pacific Northwest National Laboratory has one opening for a computational/theoretical chemistry/ultrafast spectroscopies postdoctoral scholar. The project involves developing theoretical tools to perform nonlinear X-ray experiments at XFELs like LCLS II. The postdoc will focus on the development and application of time-dependent electronic structure approaches to tackle non-linear x-ray core-electron spectra and dynamics. Predictive modeling of these novel measurements requires the development of computational tools combining nonlinear interactions of light and matter, quantum-chemical methodologies for the accurate description of electronic structure of various systems, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born- Oppenheimer approximation. Postdocs will have the opportunity to closely interact with, visit the other labs, and work closely with experimental collaborators.

This multi-disciplinary research program will be carried out by a four-institution research team (UC Irvine, University of Bologna, PNNL and LANL), which spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry. One postdoctoral position will be based at PNNL.

Contribute to the development of time-dependent electronic structure methods (real-time TDDFT) for excited-state and spectroscopy studies.
Contribute to the development of ab initio electron/nuclear dynamics techniques beyond the Born-Oppenheimer approximation
Contribute to the development of the open-source computational chemistry software
As part of an interdisciplinary, team contribute to the design and execution of quantum chemistry simulations on state-of-the-art parallel platforms.
Publish results in peer reviewed journals and conferences.

Equal Employment Opportunity

Battelle Memorial Institute (BMI) at Pacific Northwest National Laboratory (PNNL) is an Affirmative Action/Equal Opportunity Employer and supports diversity in the workplace. All employment decisions are made without regard to race, color, religion, sex, national origin, age, disability, veteran status, marital or family status, sexual orientation, gender identity, or genetic information. All BMI staff must be able to demonstrate the legal right to work in the United States. BMI is an E-Verify employer. Learn more at

Minimum Qualifications

Candidates must have received a PhD within the past five years (60 months) or within the next 8 months from an accredited college or university.

Preferred Qualifications

Experience with scientific programming (MPI, Fortran, Python, C/C++)
Demonstrated ability to work independently and with minimum supervision.
Ability to adapt to new requirements for projects and be flexible enough to learn new areas of research as needed.
Ability to work effectively as a part of a team in a multi-disciplinary multi-institution environment and interact with people with a variety of expertise
Excellent written and verbal communication skills

Preferred Education/Credential:

PhD in chemistry, physics or related.
Development and application experience in electronic structure methods (for example, DFT, TDDFT)
Development and application of ab initio electronic/nuclear dynamics techniques.

Organization and Job ID

Job ID: 308292
Directorate: Earth & Biological Sciences
Division: Science & Technology
Group: Interfacial Sciences & Simulation