Computational Research Scientist

Company: Lawrence Berkeley National Laboratory
Location: Berkeley
Posted on: November 17, 2024

Job Description:

Berkeley Lab's (LBNL) Molecular Biophysics and Integrated Bioimaging Division (MBIB) has an opening for a Computational Research Scientist to join the Structural Biology Department.In this exciting role, you will apply your expertise in two areas:

• In the US R24 Diffraction Integration of Advanced Light Source (DIALS) National Resource. DIALS is a mature software project for processing X-ray diffraction images and is a key component of the analysis pipeline at X-ray facilities worldwide that service thousands of users. You will work in close collaboration with a large user community to provide user support, training, and outreach. This will include assisting individual users of DIALS in their local institutions, integrating DIALS in new pipelines at light sources nationwide by working with beamline scientists directly, and supporting existing beamlines through infrastructure, maintenance, and upgrades to the DIALS sources. This includes supporting the large X-ray free electron laser (XFEL) data processing services the National Resource provides.
• Automate and improve existing software methods for the processing of serial crystallographic data, especially small molecule data collected at X-ray free electron lasers, synchrotron light sources, and MicroED instruments. You will work in close collaboration with teams at Berkeley Lab, University of Connecticut (UConn), and Massachusetts Institute of Technology (MIT). The larger group is researching crystal engineering of hybrid coordination polymers towards achieving rational control over the optoelectronic properties of low-dimensional nanostructures. This position will be focused on the chemical crystallography aspect of the program and will include a substantial research component.This position has an anticipated start date of January 1, 2025.What You Will Do:

• Provide outreach, user support, and DIALS dissemination (particularly to synchrotron beamline scientists).
• Code management and optimization, build systems, testing, support of new and emerging detector systems, user interface support, and pipeline support/integration.
• Research methods for improving data analysis of small-molecule serial crystallographic data.
• Lead data collection and processing at X-ray free electron sources.
• Maintain a detailed record of work performed.
• Document and manage code developed using standard source control methods.
• Publish in peer-reviewed journals.
• Present research at seminars and conferences.
• Document and maintain existing and new data processing software, including the cctbx build system.What is Required:
  • A Ph.D. (or equivalent knowledge/training) in Biophysics, Bioinformatics, Mathematics, Computer Science, Engineering, Physical Sciences, or a related field and minimum of 5 years of relevant experience in Crystallography or an equivalent combination of education and experience.
  • Expertise in computational approaches in at least three of the following areas:
    • Small-molecule chemical crystallography
    • Structure solution and refinement
    • High speed computing
    • Image analysis
    • Error propagation and statistics
    • Signal processing
    • GPU acceleration
    • A strong background in scientific computing including programming in Python, C++, or an equivalent platform.
    • Strong analytical and organizational skills including the ability to work with a variety of users to assist with data analysis.
    • Excellent oral and written communication skills including a demonstrated record of publication and experience promoting and presenting scientific projects to a variety of audiences.
    • Demonstrated interpersonal skills including experience collaborating with diverse teams of scientific, technical, and operations personnel.Desired Qualifications:
      • A Ph.D. in Biophysics, Bioinformatics, Mathematics, Computer Science, Engineering, Physical Sciences, or a related field.
      • 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, and incorporation of readable documentation and comments.Notes:
        • For full consideration, please apply with a curriculum vitae (CV) or resume by November 19, 2024.
        • This is a full-time career appointment, exempt (monthly paid) from overtime pay.
        • This position is expected to pay $110,592 - $176,947 per year for job code S39.2. It is not typical for an individual to be offered a salary at or near the top of the range for a position. Salary for this position will be commensurate with the final candidate's qualification and experience, including skills, knowledge, relevant education, certifications, and aligned with the internal peer group.
        • 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.
        • This position may be performed in the following work modalities: on-site, hybrid, telework, or remote. The primary location for this role is Lawrence Berkeley National Lab, 1 Cyclotron Road, Berkeley, CA 94720. Work must be performed within the United States.Learn About Us:Berkeley Lab (LBNL) addresses the world's most urgent scientific challenges by advancing sustainable energy, protecting human health, creating new materials, and revealing the origin and fate of the universe. Founded in 1931, Berkeley Lab's scientific expertise has been recognized with 16 Nobel prizes. The University of California manages Berkeley Lab for the U.S. Department of Energy's Office of Science.Working at Berkeley Lab has many rewards including a competitive compensation program, excellent health and welfare programs, a retirement program that is second to none, and outstanding development opportunities. To view information about the many rewards that are offered at Berkeley Lab- Click Here.Berkeley Lab is an Equal Opportunity and Affirmative Action Employer. We heartily welcome applications from women, minorities, veterans, and all who would contribute to the Lab's mission of leading scientific discovery, inclusion, and professionalism. In support of our diverse global 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.Equal Opportunity and IDEA Information Links:Create and manage profiles for future opportunities.Berkeley Lab is an Equal Opportunity and Affirmative Action Employer. We heartily welcome applications from women, minorities, veterans, and all who would contribute to the Lab's mission of leading scientific discovery, inclusion, and professionalism. In support of our diverse global 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.The Lawrence Berkeley National Laboratory provides accommodation to otherwise qualified internal and external applicants who are disabled or become disabled and need assistance with the application process. Internal and external applicants that need such assistance may contact the Lawrence Berkeley National Laboratory to request accommodation by telephone at 510-486-7635, by email to eeoaa@lbl.gov or by U.S. mail at EEO/AA Office, One Cyclotron Road, MS90R-2121, Berkeley, CA 94720. These methods of contact have been put in place ONLY to be used by those internal and external applicants requesting accommodation.
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Keywords: Lawrence Berkeley National Laboratory, Walnut Creek , Computational Research Scientist, Other , Berkeley, California