Postdoctoral Scholar in Computational Materials for Energy Technologies, Physics University of Central Florida in United States

University of Central Florida Assistant Professor Duy Le is hiring a postdoctoral researcher in computational materials science with a focus on heterogeneous catalysis , electrocatalysis , and/or battery technologies . The position is especially suited to candidates with experience in molecular dynamics simulations , including ab initio molecular dynamics (AIMD) , and in developing or using machine-learning interatomic potentials . Strong PyTorch programming skills are also requested. This is a ...

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...

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 North Carolina at Chapel Hill is hiring a Post-Doc Research Associate in the Department of Physics and Astronomy , working with the computational materials research group led by Dr. Mengen Wang . The project focuses on computational materials , especially DFT calculations and methods to accelerate the design of defects in semiconductors . The role also offers opportunities to collaborate with experiment and theory groups, making it a strong fit for candidates interested in solid-st...

PhD opportunity in Chemical Engineering at The University of Alabama with research focused on computational catalysis and materials design . The project combines atomistic simulations , machine learning , and computational chemistry/physics methods to understand and predict materials properties. Students will work with Python programming and methods based on wavefunction theory , density functional theory , classical force fields , and kinetic simulations . Candidates with a programming backgrou...