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[ccp4bb] Postdoctoral Computational Crystallography position at LBNL

Exascale Computational Crystallographer Postdoc, Lawrence Berkeley National Laboratory


Berkeley Lab’s Molecular Biophysics & Integrated Bioimaging Division has an opening for a postdoctoral fellow specializing in exascale crystallographic computation.  Several factors are creating a need for this work.  The next decade of structural biology at the Linac Coherent Light Source (LCLS) will include groundbreaking advances in time domain protein crystallography, diffuse scattering to observe dynamic motion, and single particle diffraction.  These large datasets will be processed at exascale computers designed and installed at supercomputer centers such as LBNL’s NERSC.  


What You Will Do:

• Using our previously developed packages (DIALS and cctbx.xfel) as a starting point, continue to develop and test software for X-ray free-electron laser (XFEL) serial crystallography.

• Learn and understand the hardware available for exascale computing (including Knights Landing compute cores and burst-buffer availability), so code can be refactored for massively parallel execution.

• Work at the interface between supercomputer design teams, computer science groups, LCLS beamline scientists, and X‑ray crystallography user groups.

• Develop new algorithms to adapt to heterogeneous experimental designs.

• Deliver new features on time in support of structural biology.

• Publish at least one first-author peer-reviewed publication per year.

• Present at conferences, and continuously communicate results to several collaborating groups.


What is Required:

• PhD in Biophysics, Bioinformatics, Mathematics, Computer Science, Engineering or Physical Sciences.

• Familiarity with macromolecular crystallography, other structural biology techniques, or image processing methods.

• Python and C++ both mandatory.

• Experience with modern object-oriented, version-controlled software development, with a team-oriented approach.

• Excellent oral and written communication skills.

• Ability to work effectively as part of a cross-disciplinary team.

• Demonstrated ability to analyze complex problems with direct supervision, develop strategies to solve specific problems, while running appropriate controls to validate the correct results.


The posting will remain open until the position is filled, however for full consideration, please apply in the next two weeks (15 Sep 2017).


How To Apply

Apply directly online at https://lbl.taleo.net/careersection/2/jobdetail.ftl?lang=en&job=83897 and follow the on-line instructions to complete the application process.

Nicholas K. Sauter, Ph. D.
Senior Scientist, Molecular Biophysics & Integrated Bioimaging Division
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 33R0345
Berkeley, CA 94720
(510) 486-5713