Postdoc in autonomous AI-driven materials and catalyst discovery at Lawrence Berkeley National Laboratory Lawrence Berkeley National Laboratory in United States

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...

Maynooth University’s Department of Chemistry is advertising a fully funded PhD in coarse-grained and mesoscale modelling of polymer-hybrid anion-exchange membranes for electrochemical energy applications. The project sits at the intersection of computational chemistry , materials science , polymer physics , and chemical engineering , with a strong emphasis on multiscale simulation, structure–property relationships, and data-driven materials design. The PhD researcher will work in the SimUlation...

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...

Ghent University in Belgium is advertising a 4-year fully funded PhD in Machine Learning and Quantum Chemistry for the Discovery of PFAS Alternatives . The project sits at the intersection of artificial intelligence , materials science , chemistry , and chemical engineering , with a strong computational focus. The PhD researcher will work on AI-driven methods to map the chemical space of PFAS, generate quantum-chemical datasets, predict physicochemical properties, develop machine learning models...

Postdoc and PhD openings are available at CUNY Queens College in the Jang Lab for research on computational modeling of excited-state molecules , quantum technology , and AI . The post highlights a research direction at the intersection of chemistry, physics, and computational methods, with a focus on advanced modeling and quantum/AI-related work. The announcement is for a postdoc and a PhD position. For PhD applicants, the only explicit requirement mentioned is a commitment to quantum/AI . No a...