Oak Ridge National Laboratory
Oak Ridge, TN
Requisition Id 17232 Overview: We are seeking a Postdoctoral Research Associate who will focus on applying computational methods in the areas of reaction chemistry in condensed phase systems. This position resides in the Chemical Dynamics Group in the Chemical Transformation Section, Chemical Sciences Division (CSD), Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL). The postdoc will perform enhanced sampling molecular dynamics simulations using neural network potentials and deploy statistical mechanics (e.g., rare-event theory), Markov-state models for molecular kinetics, electronic structure theory (e.g., density functional theory), spectroscopic mapping/modeling, and AI/ML to investigate molecular reactivity in liquid media. The postdoc will work within a multidisciplinary multi-institutional team involving specialists in theory, spectroscopy, and organic chemistry. Major Duties/Responsibilities: Work with a multidisciplined team of scientists...