Catalysis Cardiff University in United Kingdom

PhD opportunity in Computational Molecular Modelling and Catalysis at Jilin University, China , with a planned start date of 1 September 2027 . The position is in Professor Sudip Pan 's research group and focuses on research in computational chemistry , molecular modelling , and catalytic systems . The post highlights opportunities to build expertise in modelling approaches applied to catalysis and related chemical physics/materials science topics. Funding: The PhD is fully funded through the Ch...

PhD opportunity at the University of Liverpool in Digital and Experimental Mechanochemistry for Next-Generation Elastomers . This project sits at the interface of polymer chemistry , polymer science , mechanochemistry , computational chemistry , and materials science . The research aims to build mechanistic understanding and predictive tools for designing high-performance elastomers for demanding industrial and technological applications. You will study how engineering elastomers degrade under e...

University of Manchester is advertising a Postdoctoral Research Associate in Polymeric Materials Modelling based in Manchester, England, United Kingdom . The project focuses on the molecular modelling of cellulose oligomers and the self-assembly of cellulose in the plant cell wall . The successful candidate will use a combination of machine learning , molecular dynamics simulations , and high-performance computing (including Isambard AI) to screen large arrays of cellulose-like structures with d...

University of Bath, Department of Chemical Engineering, is advertising a PhD studentship on how molecular memory is written in molecularly imprinted polymers (MIPs) through atomistic simulation and reactive molecular dynamics . The project asks a fundamental question in polymer chemistry and computational materials design: how do template molecules, functional monomers, and cross-linkers organise before polymerisation, and how does the polymer network form around the template to create high-fide...

PhD opportunity at the University of Southampton in the School of Chemistry & Chemical Engineering with Professor Graeme Day . The project is funded in collaboration with AstraZeneca and focuses on crystal structure prediction methods for screening multicomponent forms of active pharmaceutical ingredients . This is a research-intensive PhD in chemistry , with strong relevance to pharmaceutical science , solid-state chemistry , and materials science . The work will develop computational approache...