[Neutron] ORNL: Postdoctoral Research Associate - Computational Methods for Integrating Protein Crystallography Data / NB50615195

Davidson, Lauren davidsonld at ornl.gov
Wed Feb 1 06:38:04 CET 2017

ORNL Publications
External Publication

Job Posting Title
Postdoctoral Research Associate - Computational Methods for Integrating Protein Crystallography Data / NB50615195

Posted Date

End Posting Date

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.

Major Duties/Responsibilities
- 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.

Qualifications Required
- 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.

Qualifications Desired
- Previous experience with structural biology and neutron, x-ray, or electron scattering is desired.

Work Directions and Interfaces
Reports to the Scientific Data Analysis Group Leader. Contact Vickie Lynch (lynchve at ornl.gov) for questions.

This position will remain open for a minimum of 5 days after which it will close when a qualified candidate is identified and/or

We accept Word(.doc, .docx), Excel(.xls, .xlsx), PowerPoint(.ppt, .pptx), Adobe(.pdf), Rich Text Format(.rtf), HTML(.htm,
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deleted and the candidates submitted will not be considered for employment.

If you have trouble applying for a position, please email ORNLRecruiting at ornl.gov.

Notice: If the position requires a Security Clearance, reviews and tests for the absence of any illegal drug as defined in 10
CFR 707.4 will be conducted by the employer and a background investigation by the Federal government may be required
to obtain an access authorization prior to employment and subsequent reinvestigations may be required.

If the position is covered by the Counterintelligence Evaluation Program regulations at 10 CFR 709, a counterintelligence
evaluation may include a counterintelligence-scope polygraph examination.

ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected
veterans, are encouraged to apply. UT-Battelle is an E-Verify Employer.
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