Building an Autonomous Characterization Platform for Emissive Films (PhD Studentship) University of St Andrews in United Kingdom

Imperial College London is advertising a 3-year postdoctoral position in the Department of Chemistry focused on Automation and Machine Learning for Polymer Nanogel Discovery . The role is part of a larger collaborative project and team involving Becky Greenaway , Kim Jelfs , and Nazila Kamaly . This opportunity is especially relevant for researchers with interests in chemistry , materials science , automation , machine learning , and automated workflows for discovery science. The post is a resea...

PhD opportunity at the University of Southampton in simulations of sodium-ion battery materials , with a focus on atomistic modelling , AI methods , and continuum modelling . The project is part of the Faraday Institution battery multiscale modelling (MSM) project and is aimed at understanding and improving sodium-ion battery performance, especially through the study of hard carbon anodes . The research will use large-scale density functional theory (DFT) with ONETEP , together with machine-lear...

University College London (Department of Chemical Engineering) is advertising a fully funded PhD studentship on molecular crystal polymorphism , combining statistical mechanics , molecular simulation , and machine learning . The project focuses on predicting and controlling crystal form selection in molecular crystals, with applications in pharmaceutical solids and advanced molecular materials. Research directions include advanced free-energy methods, machine-learning potentials, generative mode...

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...

INM-Leibniz Institute for New Materials is advertising PhD student positions in the Data-Driven Materials Design group led by Viktor Zaverkin . The research focuses on machine learning methods to model and design molecules and materials , making this a strong fit for applicants interested in materials science , computer science , and related interdisciplinary research. The positions are offered in collaboration with Universität des Saarlandes and the Deutsches Forschungszentrum für Künstliche In...