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[ccp4bb] Berkeley Lab Exascale Computational Crystallographer

Discover your future at Berkeley Lab!

Berkeley Lab’s Molecular Biophysics & Integrated Bioimaging Division (https://biosciences.lbl.gov/divisions/mbib/) has an opening for an Exascale Computational Crystallographer Project Scientist. The Project Scientist, with a strong interest in high-performance computing and an intuitive feel

for experimental data, will be affiliated with the Exascale Computing Project, specifically Nick Sauter’s Data Analytics for X-ray Free Electron Lasers (XFELs) group focusing on scientific software for X-ray crystallography. The next decade of structural biology at the Linac Coherent Light Source (LCLS) will include groundbreaking advances in time-domain crystallography, performed at room temperature to preserve biologically relevant dynamic mechanisms. Considering the anticipated scale of these datasets, we have an ambitious collaboration between SLAC, LANL, and LBNL to utilize national supercomputer facilities for near real-time analysis, in close collaboration with scientists at NERSC (also located in Berkeley).

The group’s projects will include:

• Photosystem II, discovering the sequence of redox events leading to the release of molecular oxygen, using a combination of time-resolved

crystallography and X-ray emission spectroscopy. https://doi.org/10.1038/s41586-018-0681-2

• Examining the electronic environment of metalloenzyme catalytic metals, with detection based on anomalous scattering. The Project Scientist

will be positioned to launch into high-performance computing careers at a light source or other experimental facilities. https://doi.org/10.1107/S2059798320000418

Please have a look at our job posting at https://lbl.taleo.net/careersection/2/jobdetail.ftl?job=89727

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

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