Requisition 1448

Purpose:

The Oak Ridge National Laboratory’s 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 nation’s ability to produce a secure energy economy and increase mankind’s fundamental understanding of our world.  The OLCF is one of the world’s premier science facilities—an unparalleled research environment that provides the most powerful computing resources in the world for open scientific research (http://www.nccs.gov).  

A postdoctoral position is available immediately for candidates interested in and capable of performing leading-edge computational condensed matter and material sciences research and development. Priorities include the development, efficient parallel implementation, and application of first principles methods. The scientific effort will focus on the ground state and finite temperature properties of alloys, magnetic and quantum materials.

The successful candidate will be mentored and teamed with staff in the OLCF Scientific Computing Group. 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 one-year appointment, with the possibility of renewal for a second year, depending on performance and the availability of funding.

Major Duties/Responsibilities:

• Work closely with ORNL researchers in using the resources of the OLCF effectively and efficiently, including:

• Developing and porting scalable first principles material applications and algorithms for OLCF computers.
• Developing and applying advanced, first principles multiple scattering theory  methodologies to study the properties of materials to meet scientific objectives.
• Debugging, profiling, and tuning first principles applications for high performance.

• Conduct research and report results in journal publications, conference papers and technical manuals.

Basic Requirements:

• Background in the development, implementation and application of ab-initio electronic structure and their application to solid state systems.
• Basic understanding of parallel application development techniques (parallel programming models, algorithms, and software). 
• Ph.D. degree in Theoretical Condensed Matter Physics, Quantum Chemistry, Applied Mathematics or a related field.

Preferred Qualifications:

• 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.
• Experience in multiple scattering theory methods (Korringa-Kohn-Rostoker) for electronic structure calculations.
• Familiarity with common scientific programming languages such as C/C++ and FORTRAN, and have a demonstrated experience in parallel programming with one or more common parallel programming models, like MPI, PGAS, OpenMP, CUDA, OpenCL, and OpenACC.
• Experience in heterogeneous programming (for example, GPU programming) and/or developing, debugging and profiling massively parallel codes is a plus.

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