Postdoctoral Researcher in Computing Modelling of Battery Cathode Materials at the University of Oxford University of Oxford in United Kingdom

Sandia National Laboratories is advertising a Postdoctoral Appointee in Atomistic Modeling / Machine Learning for its Computational Materials Science Department. The role focuses on combining density functional theory (DFT) , machine learning (ML/AI) , and atomistic simulation to accelerate multiscale modeling of reactive systems and catalysis. Research activities include building a high-throughput DFT workflow to sample chemical reactions, developing ML frameworks to predict reaction events, in...

PhD opportunity in AI-driven catalyst discovery for engineered greenhouse gas removal in net-zero chemical processes at Aston University within the Net2Zero Centre for Doctoral Training . The project sits in the broader areas of chemical engineering , chemistry , materials science , computer science , and environmental science , with a strong computational and data-driven focus. The research aims to accelerate catalyst development for reactions relevant to greenhouse gas removal, including CO2 u...

University of Liverpool, United Kingdom is recruiting two Postdoctoral Research Associates for a 1-year fixed-term project in computational discovery of new materials for electromagnetic shielding . The research sits in a highly collaborative, multidisciplinary programme focused on the computational design and prediction of novel inorganic materials. Current areas of interest include magnetic MXenes and large-unit-cell magnetic hexaferrites , with strong encouragement for applicants working in r...

Queen's University Belfast is advertising a Research Fellow position in materials science , chemistry , and related areas, focused on developing innovative, hydrogen fluoride-free routes for converting recycled rare earth oxide feedstocks into rare earth fluorides. The project is funded through an EPSRC Materials Innovation Partnership and delivered in collaboration with Ionic Technologies . The successful candidate will take a leading role in materials synthesis and physicochemical characterisa...

PhD opening at Delft University of Technology (TU Delft) in the Computational Materials Science section, working on hydrogen embrittlement , circular steels , atomistic simulation , density functional theory (DFT) , molecular dynamics (MD) , and machine-learned interatomic potentials . The project, CIRHY (Circularity as Opportunity: Engineering Hydrogen-Resistant Circular Steels), aims to develop next-generation recycled steels that can safely operate in hydrogen environments. The research focus...