Location: Oak Ridge, TN
Cap-Exempt H-1B Position — No lottery required
Requisition Id 16525 **Overview:** 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 in the Advanced Computing for Chemistry and Materials Group 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 chemistry/materials research and development for applications in material sciences and condensed matter physics. This role will involve performing leading-edge computational condensed matter and material sciences research and development. Priorities include the development and application of first principles methods and their incorporation into agentic AI workflows for materials discovery. Emphasis will be placed on robust, efficient, and sustainable software development practices including testing and documentation. The scientific effort will focus on the ground state, finite temperature and linear response properties of alloys, magnetic and quantum materials. Close collaborations are expected with researchers from across ORNL with expertise in materials and nano science as well as AI and computational science. The scientific effort will both predict materials properties as well as test and develop novel high performance computing methods for first principles materials calculations. 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. **Major Duties/Responsibilities:** - Establishing, communicating, and using best practice