The Neutron Sciences Directorate (NScD) at Oak Ridge National Laboratory (ORNL) operates the High Flux Isotope Reactor (HFIR), the United States' highest flux reactor based neutron source, and the Spallation Neutron Source (SNS), the world's most intense pulsed accelerator based neutron source. Together these facilities operate 30 instruments for neutron scattering research, each year carrying out in excess of 1,000 experiments in the physical, chemical, materials, biological and medical sciences for more than 3,000 visiting scientists. HFIR also provides unique facilities for isotope production and neutron irradiation. To learn more about Neutron Sciences at ORNL go to: http://neutrons.ornl.gov.
To maximize the information obtained for diffraction experiments for structural biology, data processing methods need to be improved for marginal, weak data and also for reflection overlap. Methods will be developed that make use of knowledge about the atomic model to inform data processing methods so that reflections can be successfully deconvolved. A novel technique for full profile single crystal structure refinement will be developed. This work will be performed through a National Institutes of Health (NIH) funded consortium between ORNL and Lawrence Berkeley National Laboratory (LBNL) to develop a broad range of computational tools for macromolecular neutron crystallography. The aim of this consortium is to address the need for new computational tools and methods to deal with the increasing number of neutron macromolecular structures being determined and their increasing size and complexity. These tools will be developed in close collaboration with the PHENIX program, a NIH funded consortium between several groups..
- Develop new methods for integrating protein single crystal diffraction data collected at instruments such as MaNDi at SNS.
- Use 3D fitting and machine learning in these methods.
- Incorporate resulting methods into standard reduction software used by the instruments and test with full datasets.
- Participate as a team member of the consortium between ORNL and LBNL to develop computational tools for neutron crystallography and the broader PHENIX collaboration.
- Participates in scientific conferences, workshops, meetings and publishes results in the form of technical notes and memos, workshop and conference proceedings, and scientific journals.
- Ensures compliance with environment, safety, health, and quality program requirements including ISMS.
- Maintains a strong commitment to the implementation and perpetuation of values and ethics.
- Must have a PhD degree in mathematics, statistics, physics, chemistry, chemical engineering, materials science or a related discipline from an accredited institution.
- Applicants must have received their PhD within five years of this application and must complete all degree requirements before starting their appointment. Certain exceptions may be considered.
- Experience with the programming languages C++ and Python and knowledge of math methods is required.
- Candidates must be self-motivated and have good interpersonal, communication and presentational skills.
This position is a temporary, full-time assignment of 24 months with a possibility of an extension to 36 months, depending on the funding situation. Initial appointments and extensions are subject to performance and availability of funding.
- Previous experience with structural biology and neutron, x-ray, or electron scattering is desired.
Work Direction and Interfaces:
Reports to the Scientific Data Analysis Group Leader. Contact Vickie Lynch (email@example.com) for questions.