Computational Chemistry University of Southampton in United Kingdom

Research Fellow in Computational Chemistry at the University of Southampton , United Kingdom. This is a postdoctoral opportunity in the School of Chemistry and Chemical Engineering , working as part of the group of Prof. Gill Reid and Em. Prof. John Dyke . The role sits within the EXPRESS Programme Grant (Exploiting Single Source Precursors for the Electrochemical Growth of Functional 1D and 2D Metal Dichalcogenide Semiconductors), a major interdisciplinary EPSRC-funded programme involving South...

PhD opportunity at the University of Southampton in predictive models for battery interfaces , combining quantum simulations , atomistic modelling , computational chemistry , machine learning , and electrochemistry . The project focuses on the solid electrolyte interphase (SEI) , a critical region in batteries that strongly affects performance and lifetime. You will work on large-scale quantum simulations using ONETEP together with reactive AI-driven force fields to build high-fidelity models of...

PhD opportunity at the University of Leeds on Understanding and Predicting CaCO3 Growth on Subsea Infrastructure . This project investigates the formation and growth of calcareous deposits (CaCO3) on subsea infrastructure and their impact on cathodic protection systems. The research combines experimental investigation, advanced characterisation, electrochemical analysis, and predictive modelling to improve offshore engineering design. The project is undertaken in collaboration with Deepwater EU ...

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...

Funded PhD opportunity at the University of Leeds in advanced manufacturing and materials science , focused on the development of novel additive manufacturing routes for tungsten carbide and the study of its performance in erosion-corrosion environments. The project combines additive manufacturing , electrochemistry , and materials characterisation , with close collaboration with industry partner Hydra Manufacturing . It is a strong fit for candidates interested in durable materials for demandin...