Fully Funded PhD in Efficient Multicomponent Pharmaceutical Crystal Form Screening with Crystal Structure Prediction University of Southampton in United Kingdom

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 Liverpool in Discovery of Pb-free solders for use in the glass industry . This project sits at the intersection of chemistry , materials science , and computer science , with a strong emphasis on machine learning , computational chemistry , inorganic chemistry , and synthetic chemistry . Working with a major industrial partner, the successful candidate will build databases of alloy melting points, develop predictive ML models for Pb-free solder compositions, ...

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...

PhD opportunity at the University of Leicester in the Alloy Design & Phase Transformations Research Group with Dr Gebril El-Fallah . This project focuses on austenitic steels , thermal expansion , high-temperature strength , metallurgy , solid state physics , and machine learning . The research asks whether magnetic behaviour can be engineered to reduce thermal expansion in steels while preserving strength and stability for structural service in advanced energy systems. You will study how alloy ...

PhD opportunity at the University of Cambridge in the group of Stefano Racioppi (Assistant Research Professor), funded by the ERC Starting Grant QUANTEX . The project will investigate how extreme pressure changes electronic structure , chemical bonding , and chemical periodicity . The research combines ab initio methods , crystal structure prediction , and machine learning , making it a strong fit for candidates interested in theoretical chemistry , condensed matter physics , and computational m...