Postdoc: Real-Space Electronic Structure on GPU HPC

Oak Ridge National Laboratory; Oak Ridge (TN); On-site; USD 65,000 - 90,000; Full time

Benefits offered by this job

Medical plans and retirement benefits

Relocation assistance

Job summary

Oak Ridge National Laboratory (ORNL) seeks a Postdoctoral Research Associate in the NCCS CCSD group to advance large-scale first principles method development for materials. The role focuses on real-space electronic-structure methods, implementing and benchmarking scalable algorithms on GPU-accelerated systems for molecules, materials, and extended environments.

The successful candidate will integrate theory with high-performance computing and automated workflows to predict correlation-driven

Qualifications

• PhD completed within the last 5 years.
• Experience with electronic-structure calculations for materials physics.
• Strong written and oral communication skills.

Responsibilities

• Collaborate within a multi-disciplinary research environment supporting ORNL missions.
• Debug, profile, and tune first principles materials applications on HPC systems.
• Adapt, develop, and publish scalable algorithms for OLCF computers.
• Apply and improve computational methodologies to optimize materials for scientific objectives.
• Author peer reviewed papers and present findings in public forums.

Skills

Clear communication

Team collaboration

Goal oriented

Education

PhD in Engineering, CS, or related field

Tools

C/C++

MPI

OpenMP

CUDA

HIP

Job description

Oak Ridge National Laboratory (ORNL) seeks a Postdoctoral Research Associate in the NCCS CCSD group to advance large-scale first principles method development for materials. The role focuses on real-space electronic-structure methods, implementing and benchmarking scalable algorithms on GPU-accelerated systems for molecules, materials, and extended environments.

The successful candidate will integrate theory with high-performance computing and automated workflows to predict correlation-driven