12. January 2015 - Oak Ridge National Laboratory
Macromolecular Software Scientist
Macromolecular Software Scientist
12. January 2015 - Oak Ridge National Laboratory
Macromolecular Software Scientist
Macromolecular Software Scientist
Oak Ridge National Laboratory

Oak Ridge, Tennessee, USA


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. 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.

Description of Institution

The Biology and Soft Matter Division (BSMD) of the Neutron Scattering Sciences Directorate (NScD) seeks highly qualified applications for a Staff Scientist position with expertise in computational crystallography. The function of this position is to develop and lead a research program in the field of crystallographic methodology for TOF data analysis of macromolecular structures using neutron diffraction data: while also developing innovative concepts and tools expanding and optimizing the capabilities of neutron instrumentation in application to macromolecular materials.

Job description

Work on time of flight macromolecular data reduction software development. Conduct and present high-quality, high-impact research in the field of macromolecular crystallography with focus on neutron diffraction techniques. Collaborate with structural biology community in support of its needs for macromolecular structure analysis using neutron and X-ray scattering data. Work closely with instrument scientists and other team members developing and advancing single event data analysis and processing methods for the center’s neutron scattering instruments.

  • Provide feedback to the Neutron Data Analysis & Visualization (NDAV) group, Data Acquisition System (DAS) group, Detector Group to improve applications and instrumentation produced by those groups.
  • Assist with instrument validation and commissioning.
  • Represent SNS at conferences and/or workshops presenting and promoting its capabilities for the structural biology community.
  • Train internal and external facility users on how to use software and systems produced.

Work Directions and Interfaces

Position reports to the MaNDi Group Leader and works closely with the MaNDi instrument team. Works with members of Computing Group and interfaces with Users and instrument scientists within NScD. Will also interface with personnel from DAS Group, User Office, and NScD IT. Collaborates with software developers at other facilities and in the User community to develop software. Works well as a team member leading when necessary, in addition, performs work independently with little guidance.

Measures of Effectiveness

Produces user-friendly software. Distributed software is widely adopted by User community, as assessed by citations in the scientific literature. Instrument Scientists and Users are satisfied with application capabilities.

Demonstrate leadership and skill for developing software – develops a good reputation within NSSD.

Produces software related documentation. Works effectively in a team environment. Performs work independently. Promotes NSSD throughout the User community when participating in meetings, workshops, or conferences.

Requested Profile

Qualifications Required

Successful candidate must have PhD in crystallography, with an emphasis on computational methods, with at least five years of related experience and demonstrated accomplishments in the field. The applicant must have documented experience in developing computational methods and software for the analysis of macromolecular crystallographic data. Experience of modern programming languages such as C, C++ and Python is required. The applicant must have good organizational and management skills and have the ability to interact effectively with colleagues displaying a broad range of expertise and interests.

Qualifications Desired

Candidates should be able to work effectively with colleagues in a collaborative research environment.

How to Apply

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

We accept Word(.doc, .docx), Excel(.xls, .xlsx), PowerPoint(.ppt, .pptx), Adobe(.pdf), Rich Text Format(.rtf), HTML and text files(.txt) up to 2MB in size. Resumes from third party vendors will not be accepted; these resumes will be deleted and the candidates submitted will not be considered for employment.

If you have trouble applying for a position, please email

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.

17. January 2015
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