Oak Ridge National Laboratory
Oak Ridge, TN, USA
Requisition Id 14889 Overview: We are seeking a Postdoctoral Research Associate who will focus on delivering groundbreaking computational chemical and materials science at the forefront of the field through the development and use of machine learning, deep learning, and high-performance computing (HPC). This position resides in the Chemical Separations Group in the Separations and Polymer Section, Chemical Sciences Division, Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL). In this role, you will perform computational studies using machine learning tools aimed at better understanding of ligand binding in solution and molten salts chemistry. Computational methods will primarily involve density functional theory calculations for molecular and periodic systems, molecular dynamics simulations using ab initio and machine-learning potentials, and the development or application of machine-learning tools for feature extraction, property prediction, and inverse...