PhD Position in Automated Kinetic Model Generation, Chemical Engineering, Machine Learning, Catalysis Ghent University in Belgium

Postdoctoral Research Associate at Northeastern University in Boston, Massachusetts, United States. The Lopez Group is seeking a postdoctoral researcher to work on a collaborative project focused on sustainable polymer synthesis from CO₂ . The role combines machine learning , organic chemistry , computational chemistry , and high-throughput quantum chemistry to help design metal-free cyclopropenimine catalysts, substrates, and reaction conditions for making polyurethanes and polycarbonates . Res...

George Washington University is recruiting a Postdoctoral Associate in the Department of Chemistry for a newly funded multi-institutional project on the de novo design of functional and safer chemicals . The project combines computational/theoretical chemistry , molecular simulation , data analysis , and predictive modeling to build mechanistically grounded relationships between molecular properties and chemical function, toxicity, bioaccumulation, and environmental degradation. Initial applicat...

The Sustainable Materials Engineering (SUME) research group at Vrije Universiteit Brussel (VUB) is offering an urgent PhD position focused on battery interface design using AI-driven modelling and multiscale simulations. The project sits at the intersection of advanced battery materials, computational chemistry, and machine learning. It aims to understand and engineer solid-solid and solid-liquid interfaces through an integrated modelling framework spanning atomistic methods such as DFT, AIMD, a...

This postdoctoral project is part of the SNU/FZJ Energy Fellow Program, a two-year international research collaboration between Forschungszentrum Jülich (FZJ) in Germany and Seoul National University (SNU) in South Korea. The fellow will spend one year employed at FZJ and a second year at SNU, or follow the reverse sequence. The research focuses on advanced liquid organic hydrogen carrier (LOHC) systems for chemical hydrogen storage. The project aims to clarify dynamic active-site transformation...

The University of Southampton is offering a competition-funded, industrially sponsored PhD project in the predictive design of heterogeneous catalysts for CO₂ utilisation. The research will use computational chemistry and complementary experiments to determine how catalyst structure controls CO₂-conversion activity, selectivity and stability. The project will investigate CO₂ activation and product formation, develop a molecular-level mechanistic model, and use computational predictions to guide ...