Distinguished Postdoctoral Research Associate - Science Engagement

Oak Ridge National Laboratory • Oak Ridge, TN

4d • Onsite

About The Position

Oak Ridge National Laboratory (ORNL) is seeking a Postdoctoral Research Associate to support the Science Engagement Section in the National Center for Computational Sciences (NCCS), Computing and Computational Sciences Directorate (CCSD). This role involves performing leading-edge computational materials research and development, with a scientific focus on studying the chemical and physical properties of molten salt liquids relevant to fission and fusion reactors. The research will concentrate on the chemical speciation and transport of tritium in molten salt blankets using ab initio quantum simulations, machine learning potentials, and statistical mechanical theory. Collaborations with internal and external fusion efforts will be encouraged. The successful candidate will be mentored by staff in the NCCS and will collaborate with leading computer and computational scientists at ORNL and external collaborators on developing and applying new computational techniques for DOE Office of Science missions.

Requirements

• A PhD in Computational Chemistry, Physics, Chemical Engineering, Materials Science and Engineering, or a related field completed within the last 5 years
• Experience in theoretical and computational quantum simulations of materials or chemical physics methods, in particular ab initio and AI-driven simulation methods
• Experience in statistical mechanical theory to analyze the simulation results
• Basic understanding of parallel application development techniques (parallel programming models, algorithms, and software)

Nice To Haves

• Experience in implementing ab initio simulation codes such as VASP or CP2K on massively parallel architectures.
• Solid skills in common scientific programming languages, in particular languages such as FORTRAN, C, C++, and Python
• Experience in parallel programming with one or more common parallel programming models, in particular MPI, OpenACC, and OpenMP
• Experience in heterogeneous programming
• Experience in developing, debugging and profiling massively parallel codes
• Excellent written and oral communication skills
• Ability to work independently and to participate creatively in collaborative teams
• Ability to function in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs

Responsibilities

• Work closely with ORNL researchers in using the resources of the OLCF effectively and efficiently
• Develop and port scalable materials science applications and algorithms for OLCF supercomputers
• Develop and apply advanced, compute-intensive materials simulation methodologies to study the fundamental properties of molten salt materials to meet scientific objectives
• Debug and profile applications for high performance
• Conduct research and report results in journal publications, conference papers and technical manuals

Benefits

• medical and retirement plans
• flexible work hours
• on-site fitness
• banking
• cafeteria facilities
• Prescription Drug Plan
• Dental Plan
• Vision Plan
• 401(k) Retirement Plan
• Contributory Pension Plan
• Life Insurance
• Disability Benefits
• Generous Vacation and Holidays
• Parental Leave
• Legal Insurance with Identity Theft Protection
• Employee Assistance Plan
• Flexible Spending Accounts
• Health Savings Accounts
• Wellness Programs
• Educational Assistance
• Relocation Assistance
• Employee Discounts

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Education Level: Ph.D. or professional degree