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Distinguished Postdoctoral Associate in Computational Biophysics / NB50649228
Oak Ridge National Laboratory
Oak Ridge National Laboratory

Job Location: Oak Ridge, TN

The Oak Ridge National Laboratorys Leadership Computing Facility (OLCF) has the charge to develop and apply transformational computational science capabilities in support of dramatic advances in our understanding of the physical world and using that knowledge to address the most pressing national and international concerns. As a designated User Facility, the OLCF delivers leadership-class computing for science and engineering; focuses on grand-challenge science and engineering applications; procures largest-scale computer systems (beyond typical vendor design points) and develops high-end operational and application software; and educates and trains the next generation of computational scientists. The facility gives researchers an unparalleled environment in which to make new discoveries that will dramatically impact the nations ability to produce a secure energy economy and increase mankinds fundamental understanding of our world. The OLCF is one of the worlds premier science facilitiesan unparalleled research environment that provides the most powerful computing resources in the world for open scientific research ( A postdoctoral position is available immediately for candidates interested in and capable of performing leading-edge computational biophysics research and development. Priorities include the development, efficient parallel implementation, and application of molecular dynamics simulation based on classical statistical mechanical methodologies on leadership class supercomputers. The scientific effortwill focus on the fundamental properties of biomolecular systems. The successful candidate will be mentored and teamed with staff in the Scientific Computing Group in the OLCF. They will collaborate with leading computer and computational scientists at ORNL in the development and application of new computational techniques specifically targeted at the key DOE Office of Science missions. This is a two-year appointment.

Major Duties/Responsibilities:
Work closely with ORNL researchers to assist them in using the resources of the OLCF effectively and efficiently, including:
  • Developing and porting of scalable biophysics simulation applications and algorithms for OLCF computers.
  • Debugging and tuning large scale molecular simulation applications for high performance.
  • Applying large-scale computational biophysics simulation methodologies to study the fundamental properties of biomolecular systems to meet scientific objectives. Assisting in developing system software, libraries,and tools to meet the needs of the researchers. Participating in community-wide efforts to design and develop those tools. Where appropriate, assisting in proposal writing and conducting research to determine the best way to approach tools and libraries as well as determining the best path forward for application development on future OLCF resources. Conduct research and report results in journal publications, conference papers and technical manuals.

    Qualifications Required:
    Minimum Qualifications:Postdoctoral candidates with a strong computational science background in classical molecular simulations will be considered. Candidates should have a good understanding of application development techniques (models, algorithms, software) at scale (large processor counts). The position requires a Ph.D. degree in computational biophysics or related field, earned no more than five years prior to the date of the application.Preferred Qualifications:Experience with one or more prominent computational molecular simulation packages, such as NAMD, LAMMPS, AMBER, GROMACS, NWCHEM, is desirable. The ideal candidate would be familiar with common scientific programming languages such as C/C++ or FORTRAN, and have some experience with CUDA, OpenCL, and OpenACC compiler directives, vectorization, and one-sided asynchronous programming models. Experience in heterogeneous computing, developing and debugging massively parallel algorithms and code performance profiling are a plus. Excellent interpersonal skills, oral and written communication skills, organizational skills, and strong personal motivation are necessary. The ability to work in a dynamic, team environment is required. Additional Information:Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment. The appointment length will be for up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and the availability of funding.UT-Battelle is recognized by our employees and the community as an inclusive environment where diversity is valued and individuals and teams are inspired to contribute fully to the organization's success.ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply.

    Oak Ridge National Laboratory

    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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