Serial Crystallography Research ScientistBerkeley 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 be a part of a new project to bring serial crystallography to the Advanced Light Source (ALS). This role will include creating a modular software pipeline for the analysis of serial X-ray diffraction patterns using the Diffraction Integration of Advanced Light Source (DIALS) library that can be redeployed at end stations throughout ALS or beyond.
You will develop new methods of automated instrument control to allow user-free operation of serial crystallography sample delivery mechanisms, and collaborate with data scientists in our computing area to design new methods of detecting the presence or absence of ligands in X-ray electron density maps. This will include fast distillation of data from a variety of sources, including instrument cameras, sensors, and the diffraction patterns themselves, to provide real-time steering of the instrument. It will also involve development of slower feedback mechanisms that changes samples and moves the instrument to a true self-driving laboratory.
You will have the opportunity to participate in larger projects in the group, including working on DIALS infrastructure as part of the US R24 DIALS National Resource, participating in X-ray free electron laser (XFEL) data processing development and data analysis, and small-molecule crystallography methods development.
This position has an anticipated start date of January 1, 2025.
What You Will Do: Develop and test new methods to automate a self-driving serial crystallographic instrument at the ALS.Perform code management, optimization, and pipeline support as part of integration into the larger ALS infrastructure.Participate in 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.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 3 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 crystallographyStructure solution and refinementHigh speed computingImage analysis (especially from cameras used for instrument monitoring)Error propagation and statisticsSignal processingGPU accelerationAI/ML as applied to instrument controlA strong background in Python, C++, or an equivalent platform for scientific computing.Strong analytical and organizational skills.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.Demonstrated ability to develop self-driving systems, whether through instrument support or AI/ML experience in general.Familiarity with synchrotron operation and software packages for operation.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, exempt (monthly paid) from overtime pay, 2 year, Career-Track Term appointment that may be renewed to a maximum of five years and that may be converted to career based upon satisfactory job performance, continuing availability of funds, and ongoing operational needs.This position is expected to pay $92,701 - $148,316 per year for job code S39.1. 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.
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