PhD Opportunity in AI-Powered Enzyme Engineering and Computational Chemistry at the University of Bristol University of Bristol in United Kingdom

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...

Postdoctoral Research Associate in Polymeric Materials Modelling at The University of Manchester . This fixed-term, full-time postdoctoral role is based in the Department of Materials and focuses on the molecular modelling of cellulose oligomers , the self-assembly of cellulose in the plant cell wall, and related plant cell wall polymers. The project combines computational chemistry , materials science , machine learning , molecular dynamics simulations , and high performance computing (includin...

Postdoctoral Scholar in Computational Chemistry and Machine Learning at the University of Pittsburgh . The Peng Liu group is hiring a postdoctoral scholar to work on computational chemistry for catalytic organic reactions, with a strong emphasis on mechanism discovery and predictive catalyst/reaction design. The project combines transition-metal catalysis , organic reaction mechanisms , biocatalysis , and machine learning to study C–H/C–C activation, alkene functionalization, cross-coupling, lig...

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 Warwick in Automated Closed-Loop Peptide Drug Discovery to Replace Antibodies . This funded PhD project sits at the intersection of biology , computer science , machine learning , molecular biology , and cell biology . The project aims to build a fully automated design-build-test-learn pipeline for discovering short peptide antibody-mimetics that can serve as robust, low-cost alternatives to antibodies in therapeutics and lateral flow diagnostics. Working wit...