Computational Crystallography Research Scientist

$110,592 - $176,947/Yr

Molecular Foundry

Full-time - Senior

About the position

The Computational Crystallography Research Scientist at Berkeley Lab's Molecular Biophysics and Integrated Bioimaging Division will focus on advancing the field of crystallography through user support, software development, and research. The role involves collaboration with various institutions to enhance data processing methods and support the DIALS software project, which is crucial for X-ray diffraction analysis. The position emphasizes both outreach and technical expertise in crystallography, particularly in small-molecule data analysis.

Responsibilities

• Provide outreach, user support, and DIALS dissemination to synchrotron beamline scientists.
• Manage and optimize code, build systems, and support new detector systems.
• Research methods for improving data analysis of small-molecule serial crystallographic data.
• Lead data collection and processing at X-ray free electron sources.
• Maintain detailed records of work performed and document code using standard source control methods.
• Publish research findings in peer-reviewed journals and present at seminars and conferences.
• Assist the Principal Investigator in developing grant proposals.
• Document and maintain existing and new data processing software, including the cctbx build system.

Requirements

• A Ph.D. in Biophysics, Bioinformatics, Mathematics, Computer Science, Engineering, Physical Sciences, or a related field with a minimum of 5 years of relevant experience in Crystallography.
• Expertise in computational approaches in at least three areas such as protein crystallography, small-molecule chemical crystallography, structure solution and refinement, unit cell determination, high speed computing, image analysis, large dataset analysis, error propagation and statistics, signal processing, and GPU acceleration.
• Strong background in scientific computing including programming in Python, C++, or an equivalent platform.
• Strong analytical and organizational skills to assist users with data analysis.
• Excellent oral and written communication skills with a demonstrated record of publication.
• Demonstrated interpersonal skills and experience collaborating with diverse teams.

Nice-to-haves

• Familiarity with small-molecule material design and synthesis.
• Familiarity with general Python scientific data packages such as NumPy, SciPy, and pandas.
• Familiarity with the DIALS and cctbx packages.
• Expertise in protein crystallographic data analysis and small molecule chemical crystallography.
• Well versed in modern coding practices for scientific computing, including algorithm design and evaluation, source code management under a revision control system like git.

Benefits

• Competitive compensation program
• Excellent health and welfare programs
• Retirement program
• Outstanding development opportunities