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We have 33 Computational Chemistry PhD Projects, Programmes & Scholarships for European Students (exc UK) in the UK
Computational Chemistry PhD Projects, Programmes & Scholarships for European Students (exc UK) in the UK
We have 33 Computational Chemistry PhD Projects, Programmes & Scholarships for European Students (exc UK) in the UK
GTA funded - Chemical energy conversion in biology studied using advanced spectroscopic and structural tools
Graduate Teaching Assistantship. This is a Graduate Training Assistantship (GTA), which means that you will be required to do some teaching, particularly lab demonstrating, as part of your training. Read more
Mitigating Synthesisability Loss in 3D Generative Models
The molecule design process is often hampered by high costs and lengthy development cycles. Recent advances in 3D-aware generative models offer a promising route to accelerate novel molecule discovery, yet these approaches frequently encounter two critical limitations. Read more
Enabling high-accuracy first principles modelling of nanoscale systems: many-body quantum embedding in linear-scaling DFT
Density functional theory (DFT) has been the most popular method for understanding the electronic structure of materials from first principles for over 30 years, thanks to its balance of computational efficiency, accuracy, and simplicity. Read more
Searching for novel defects for quantum technology applications with first principles modelling
The success and widespread use of the next generation of quantum technology will fundamentally depend on the materials used to make them. Read more
Understanding the influence of extended defects and surfaces on defects for quantum technology applications with first principles modelling
The success and widespread use of the next generation of quantum technology will fundamentally depend on the materials used to make them. Read more
Of Mice and Men: Integrative structural modelling of NLRP1 inflammasomes to close the translational gap
NLRP1 was the first inflammasome to be described, and its hyperactivation is linked to autoinflammatory disease, neuroinflammation and endometriosis. Read more
Caging Circles: Engineering Medically Useful Cyclic Peptides into Artificial Programmable Protein Cages
About the Project. Advances in computational techniques now allow us to design artificial nanoscale structures from biological molecules such as proteins. Read more
Adding functionality to C. difficile’s armour – integrative structural biology studies of SlpA and CWPs
Are you interested in a PhD studying antibiotic resistant bacteria and keen to develop your research skills in microbiology combined computational methods as well as understand how proteins work and their intricate structures and how they interact with metals?. Read more
AI-guided rational design of ssGlo: a family of protein-based DNA biosensors for quantifying DNA editing and repair
We are seeking an enthusiastic, motivated candidate with an interest in combining biophysics, structural biology and computational chemistry approaches to protein design. Read more
Protein hotspot mapping for protein-protein interaction studies and peptide ligand discovery
In this project, peptides, which match the sequence and structural diversity of proteins, will be used to probe proteins of biomedical interest. Read more
Benchmarking electron-phonon coupling calculations with magnetospectroscopy techniques
This project is one of a number that are in competition for funding from the University of Bath URSA competition, for entry in September 2025. Read more
High-Throughout Materials Discovery and Analysis for Water Contaminant Removal
Water scarcity and contamination are among the most pressing global challenges of our time. Approximately 25% of the global population lives in regions experiencing annual water strees, a number projected to rise significantly by 2050. Read more
High-Throughout Materials Discovery and Analysis for Atmospheric Water Harvesting
Water scarcity and contamination are among the most pressing global challenges of our time. Approximately 25% of the global population lives in regions experiencing annual water strees, a number projected to rise significantly by 2050. Read more
Last chance to apply
(UoM - A* STAR) Rules for the design of allosteric effectors: chemistry and interactions
Proteins in signal transduction pathways usually display an ultrasensitive cooperative response. This response is only possible if information can be exchanged between distal sites in a protein complex. Read more
PhD studentship focussed on Computational Materials Design and Discovery
A fully-funded 3.5 year PhD position is available in the School of Chemistry at the University of Birmingham, in the Computational Chemistry Group of Professor David Scanlon. Read more