Postdoctoral Associate in Geosciences, Machine-Learning Interatomic Potentials, and Molecular Dynamics Stony Brook University in United States

The PACE Lab (Predictive Atomistic Computations for Electrochemistry) in the Department of Mechanical Engineering at The University of Tennessee at Chattanooga is recruiting for two opportunities: a Postdoctoral Researcher and a funded M.S. position . The postdoctoral project focuses on machine learning interatomic potentials (MLIPs) for electrochemistry , with applications to electrochemical interfaces and energy materials . Strong candidates will have experience in DFT , molecular dynamics , m...

Postdoctoral position available at Kangwon National University in the Department of Geology , working with the Geological Molecular Science (GeMS) Group led by Dr. Kideok Kwon . The project focuses on mineral-fluid interfaces and mineral-water interface research , with emphasis on atomic-scale structures, properties, geochemical processes, interfacial reactivity, and isotope-fractionation processes. The role involves supercomputer-based Density Functional Theory (DFT) calculations, Molecular Dyn...

University at Buffalo is hiring a Postdoctoral Associate in Agentic AI × Computational Catalysis within the Peng Research Group . The position sits at the intersection of scientific AI , first-principles atomistic simulations , computational catalysis , and data-driven materials discovery , with primary support for the DOE Genesis Mission project. The postdoc will also benefit from access to world-class AI computing through Empire AI and collaboration with a multi-institutional DOE team. This op...

University of Central Florida (UCF), Department of Physics, is recruiting a Postdoctoral Scholar / Postdoctoral Associate in the Computational Materials for Energy Technologies (CoMET) group led by Assistant Professor Duy Le . The position focuses on computational materials science for energy applications , especially electrocatalysis and battery technologies . The successful candidate will work on modeling solid-solid, liquid-solid, and gas-solid interfaces using DFT , GC-DFT , MD (including AI...

Oak Ridge National Laboratory (ORNL) is recruiting a Postdoctoral Research Associate in computational materials science , with a scientific focus on the chemical and physical properties of molten salt liquids relevant to fission and fusion reactors . The project centers on the speciation and transport of tritium in molten salt blankets using ab initio quantum simulations , machine learning potentials , and statistical mechanical theory . The role is embedded in the National Center for Computatio...