Postdoctoral Associate in Agentic AI and Computational Catalysis at University at Buffalo University at Buffalo in United States

Immediate postdoctoral researcher openings are available in the group of Shyam Kattel at the University of Central Florida . The position is centered on theoretical heterogeneous catalysis and the modeling of electrochemical reactions on surfaces and interfaces . Successful candidates should bring experience in first-principles density functional theory (DFT) , grand canonical DFT (GC-DFT) , microkinetic modeling , kinetic Monte Carlo simulations , and machine learning methods . The group also v...

Oak Ridge National Laboratory (ORNL) is inviting applications for a Postdoctoral Research Associate in Condensed Matter Theory in Oak Ridge, Tennessee, USA. This opportunity is centered on computational materials science , condensed matter physics , quantum materials , and AI/ML-driven materials discovery . The project aims to develop cutting-edge computational methods that combine electronic structure theory and artificial intelligence to study advanced quantum materials. Research topics includ...

Lawrence Berkeley National Laboratory’s Molecular Foundry is identifying candidates for a postdoctoral researcher position focused on developing AI/digital twin frameworks for polymer discovery . This opportunity is a strong fit for applicants with experience in polymer science , molecular simulation , machine learning , materials informatics , polymer property prediction , or data-driven materials design . The post emphasizes research at the intersection of polymers, simulation, and AI-enabled ...

PhD positions are available in the Department of Automotive Engineering at Clemson University for research on rechargeable battery technologies. The project areas include advanced battery materials, data-driven battery development, and battery manufacturing. The selected PhD students will work with a multidisciplinary research team and will have access to materials synthesis and processing facilities, state-of-the-art characterization tools, and a pouch cell manufacturing line. Relevant research...

PhD opportunity in battery modelling, electrochemical interfaces, atomistic modelling, first-principles simulations, and machine-learned interatomic potentials at CIC energiGUNE in Vitoria-Gasteiz, Spain . The Modelling and Simulation group is recruiting a PhD candidate for e-ChemIn , a Marie Skłodowska-Curie Actions Doctoral Network focused on understanding and engineering electrochemical interfaces for next-generation energy technologies. The selected doctoral candidate will study how buried e...