XFEL Crystallography Postdoctoral Fellow

Lawrence Berkeley National Lab's (LBNL) Molecular Biophysics and Integrated Bioimaging Division (MBIB) has an opening for a Postdoctoral Fellow in XFEL Crystallography. This role is an exciting opportunity to contribute to cutting-edge research in structural biology by developing advanced computational methods, applying machine learning, and collaborating with leading scientists at national laboratories and light source facilities.

You will be part of a multidisciplinary team advancing time-resolved crystallography, diffuse scattering, and single-particle diffraction, helping to push the boundaries of structural biology at the Linac Coherent Light Source (LCLS). With the anticipated petabyte-scale datasets generated from this research, you will have the opportunity to work closely with NERSC (National Energy Research Scientific Computing Center) and leverage Exascale computing and GPU acceleration to solve complex computational challenges.

This position is ideal for candidates looking to gain hands-on experience with high-performance computing, contribute to novel algorithm development, and make an impact in structural biology, computational research, and light source facilities.

This position has an anticipated start date of April 1, 2025.

What You Will Do:

• Act as the computational specialist in XFEL experiments within a multidisciplinary research team.
• Contribute to software development and testing for XFEL crystallography, enhancing tools such as cctbx.xfel and dials.
• Apply modern analytical techniques, including machine learning, to improve data interpretation and model validation.
• Investigate high-impact computational approaches to spatially resolved anomalous dispersion as described in DOI:10.1107/S2059798320000418 and PMC10350105.
• Develop expertise in Exascale computing hardware, including Perlmutter and GPU accelerators.
• Collaborate closely with supercomputer design teams, LCLS beamline scientists, and X-ray crystallography user groups.
• Design and implement new algorithms for adapting to diverse experimental designs and large-scale datasets.
• Deliver software milestones aligned with DOE mandates, ensuring tested code is integrated into repositories with proper documentation.
• Publish at least one first-author paper per year and present findings at major scientific conferences.

What is Required:

• PhD in Biophysics, Bioinformatics, Mathematics, Computer Science, Engineering, Chemical Engineering, Physical Sciences, or a related field.
• Working knowledge of crystallographic data collection, processing, molecular modeling, and model validation.
• A publication record reflective of this experience.
• Expertise with modern object-oriented, version-controlled software development, with a team-oriented approach.
• Proficiency with Linux, Python, and C++.
• Excellent oral and written communication skills.
• Ability to work effectively in an R&D environment as part of a cross-disciplinary team.

Desired Qualifications:

• Experience with GPU computing.
• Experience in a high-performance computing environment.
• Machine learning, for example TensorFlow or PyTorch experience.

Notes:

• For full consideration, please apply by March 31, 2025.

• This is a full time, exempt from overtime pay (monthly paid), 2 year (benefits eligible), Postdoctoral Fellow appointment with the possibility of renewal based upon satisfactory job performance, continuing availability of funds, and ongoing operational needs. You must have less than 3 years of paid postdoctoral experience. This position is represented by a union for collective bargaining purposes.
• The monthly salary range for this position is $7,828 - $8,742 and is expected to start at $7,828 or above. Postdoctoral positions are paid on a step schedule per union contract and salaries will be predetermined based on postdoctoral step rates. Each step represents one full year of completed post-Ph.D. postdoctoral experience.
• As a condition of employment, the finalist will be required to disclose if they are subject to any final administrative or judicial decisions within the last seven years determining that they committed any misconduct, are currently being investigated for misconduct, left a position during an investigation for alleged misconduct, or have filed an appeal with a previous employer.
• This position may be subject to a background check. Any convictions will be evaluated to determine if they directly relate to the responsibilities and requirements of the position. Having a conviction history will not automatically disqualify an applicant from being considered for employment.
• Work will be primarily performed at: Lawrence Berkeley National Lab, 1 Cyclotron Road, Berkeley, CA.

Want to learn more about working at Berkeley Lab? Please visit: careers.lbl.gov

Berkeley Lab is an Equal Opportunity and Affirmative Action Employer. In support of our rich 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.