Postdoctoral Research Associate - Science Engagement

Requisition ID: 17131

About the role

Oak Ridge National Laboratory is the largest US Department of Energy science and energy laboratory, conducting basic and applied research to deliver transformative solutions to compelling problems in energy and security. We are seeking a Postdoctoral Research Associate who will support the Science Engagement Section in the National Center for Computational Sciences (NCCS), Computing and Computational Sciences Directorate (CCSD) at Oak Ridge National Laboratory (ORNL) to perform leading-edge computational materials research and development. The scientific focus of this role is the study of the chemical and physical properties of molten salt liquids relevant to fission and fusion reactors. The production and recovery of tritium fuel are major challenges for successfully generating fusion energy. This research will focus on the chemical speciation and transport of tritium in the molten salt blankets using ab initio quantum simulations, machine learning potentials, and statistical mechanical theory. Collaborations with internal and external fusion efforts will be strongly encouraged. The successful candidate will be mentored and teamed with staff in the National Center for Computational Sciences. They will collaborate with leading computer and computational scientists at ORNL and external collaborators in the development and application of new computational techniques specifically targeted at the key DOE Office of Science missions.

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

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)

Preferred qualifications

• 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

Special requirements

• 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 up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and availability of funding.
• Three letters of reference are required when applying to this position.
• For employment at ORNL, a Real ID compliant form of identification is required. All employees must be able to obtain and maintain a federal Personal Identity Verification (PIV) card as mandated by Homeland Security Presidential Directive 12 (HSPD-12) and Department of Energy (DOE) Order 473.1A, which requires a favorable post-employment background investigation (Federal Tier 1 background check). This investigation includes a declaration of illegal drug activities, including use, supply, possession, or manufacture within the last year (including marijuana and cannabis derivatives, which are still considered illegal under federal law regardless of state laws).
• Foreign national candidates who have not resided in the U.S. for three consecutive years are not eligible for the PIV credential and instead will need to obtain a favorable Local Site Specific Only (LSSO) risk determination to maintain employment. Once the three-year residency requirement is met, a PIV credential is required to maintain employment.

About Oak Ridge National Laboratory

As a U.S. Department of Energy (DOE) Office of Science national laboratory, ORNL has an impressive 80-year legacy of addressing the nation's most pressing challenges. Our team is made up of over 7,000 dedicated and innovative individuals. Our goal is to create an environment where a variety of perspectives and backgrounds are valued, ensuring ORNL is known as a top choice for employment. These principles are essential for supporting our broader mission to drive scientific breakthroughs and translate them