Postdoctoral Research Associate in Computational Chemistry

Oak Ridge National Laboratory (ORNL) seeks a Postdoctoral Research Associate in Computational Chemistry to develop and apply machine learning interatomic potentials (MLIPs) and free energy methods to ion separations, interfacial science, and energy-related processes. The role involves creating and refining MLIPs using ab initio calculations, conducting molecular dynamics simulations, and collaborating with a multidisciplinary team. The position requires a PhD in theoretical or computational chemistry or a closely related field, experience with DFT and MD simulations, and proficiency in statistical mechanics methods. The appointment is up to 24 months with potential extension.