Postdoctoral Research Associate in Computational Chemistry

Oak Ridge National Laboratory (ORNL) seeks a Postdoctoral Research Associate to conduct computational studies on stimulus-responsive separations and energy-related processes. The role involves modeling photochemically driven ligand binding and release, pH modulation, and excited-state dynamics using ab initio molecular dynamics methods. The position requires expertise in static and dynamic excited-state calculations (e.g., TDDFT, SHARC) and collaboration with a multidisciplinary team. The appointment is up to 24 months with potential extension, subject to funding and performance.