PhD Position in Computational and AI-Assisted Catalyst Design for Sustainable Energy and Advanced Materials at NIT Mizoram National Institute of Technology Mizoram in India

Lawrence Berkeley National Laboratory is advertising a postdoctoral position in the Energy Technologies & Systems Division in Berkeley, California, USA . The role sits in the Jain (HackingMaterials) group and the Applied Energy Materials group , working on autonomous AI-driven materials discovery and catalyst discovery across two DOE/ARPA-E projects. Research themes include building simulation agents to predict materials properties such as Li-ion conductivity , validating predictions against aut...

The University at Buffalo is recruiting a Postdoctoral Associate in the Department of Materials Design and Innovation , working in the Peng Research Group . This is a research-intensive opportunity at the intersection of scientific AI , atomistic simulation , computational catalysis , and data-driven materials discovery . The successful candidate will contribute to a U.S. Department of Energy Genesis Mission project focused on developing closed-loop and agentic AI workflows for chemical-manufact...

PhD opportunity at Nanyang Technological University (Singapore) in AI-enabled atomistic modelling of dynamic interfaces in alcohol electro-oxidation . This funded PhD project, supervised by Prof Zhichuan Jason Xu in the School of Materials Science and Engineering , focuses on understanding how catalyst reconstruction and interfacial proton transfer control alcohol electro-oxidation. The research is centered on nickel-based (oxy)hydroxides and aims to reveal how evolving catalyst structures influ...

PhD opportunity at the University of Southampton in predictive models for battery interfaces , combining quantum simulations , atomistic modelling , computational chemistry , machine learning , and electrochemistry . The project focuses on the solid electrolyte interphase (SEI) , a critical region in batteries that strongly affects performance and lifetime. You will work on large-scale quantum simulations using ONETEP together with reactive AI-driven force fields to build high-fidelity models of...

Stephanie Law at Pennsylvania State University is hiring a postdoctoral scholar for the LATTICE Programmable Cloud Laboratory at the University Park campus. This position focuses on molecular beam epitaxy (MBE) , thin-film materials synthesis , and AI/ML-enabled autonomous experimentation . The scholar will help integrate existing III-V and chalcogenide MBE systems into the LATTICE ecosystem, with emphasis on in situ feedback and control , autonomous operation of deposition tools, and machine-le...