
This postdoctoral research role is based at Oak Ridge National Laboratory within the National Center for Computational Sciences, focusing on advanced computing for chemistry and materials. The position involves developing first-principles methods and integrating them into AI-driven workflows for materials discovery, while optimizing high-performance computing applications for complex scientific simulations. Key responsibilities include debugging and tuning software for scalability on supercomputers, establishing best practices for HPC resource usage, and collaborating with a multidisciplinary team to publish research findings. The role offers a unique opportunity to work on cutting-edge DOE missions with leading computational scientists in a collaborative environment, supported by a generous relocation package for qualified candidates.




















