Postdoctoral Researcher and Funded M.S. Position in Computational Electrochemistry and Machine Learning Interatomic Potentials The University of Tennessee at Chattanooga 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...

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 ...

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...

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...

Postdoctoral Researcher opportunity at the Institut de Recherche sur les Céramiques (IRCER), CNRS, in Limoges, France, within the PEPR DIADEM program. The project is focused on high-throughput screening of catalytically active high entropy oxides using density functional theory (DFT), AiiDA, and high-performance computing (HPC) for energy applications. This is a strong fit for candidates with interests in computational materials science, catalysis, materials discovery, and workflow automation. T...