Postdoctoral Positions in Computational Chemistry, Porous Materials, Artificial Intelligence, and Photo-catalysis Xi'an Jiaotong-Liverpool University in China

HIPOLE Jena is advertising a Postdoc (m/f/d) in theoretical chemistry for polymers in energy applications at its site in Jena, Germany . The position focuses on the modelling of polymeric materials for energy technologies, especially battery materials and sustainable energy storage/conversion systems. The successful candidate will work on screening procedures for battery materials , investigate degradation mechanisms , develop design concepts, and calculate selected polymer structures. The metho...

Wageningen University & Research is advertising a PhD position in Computational Catalyst Design in the Netherlands. The project focuses on atomic-level catalyst design and the reaction mechanisms of CO2 and CO hydrogenation , with an emphasis on understanding structure–reactivity relationships in heterogeneous catalysis . The research uses a combination of DFT , AIMD , and machine-learning potential-driven molecular dynamics . The PhD is embedded in a broader consortium on green hydrogen and ele...

Lawrence Berkeley National Laboratory’s Molecular Foundry is identifying candidates for a postdoctoral researcher position focused on developing AI/digital twin frameworks for polymer discovery . This opportunity is a strong fit for applicants with experience in polymer science , molecular simulation , machine learning , materials informatics , polymer property prediction , or data-driven materials design . The post emphasizes research at the intersection of polymers, simulation, and AI-enabled ...

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...