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We have 38 Computational Chemistry (4 year) PhD Projects, Programmes & Scholarships

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Computational Chemistry (4 year) PhD Projects, Programmes & Scholarships

We have 38 Computational Chemistry (4 year) PhD Projects, Programmes & Scholarships

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A 4-year PhD studentship on “ Understanding The Property-structure Relationship Through Combined XANES/DFT Structure Simulation”

University College London Department of Chemistry
Supervisors. Prof Gopinathan Sankar (UCL), Prof Furio Cora (UCL) and Huw Marchbank (Johnson Matthey PLC). A 4 year PhD studentship is available in the Department of Chemistry, University College London, which will commence in September 2024. . Read more
 Supervisor: Prof G Sankar
 3 May 2024  PhD Research Project  Funded PhD Project (European/UK Students Only)
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Targeting the mechanism of small GTPase splice variant RAC1B using ligand design

The University of Manchester Faculty of Biology, Medicine and Health
RAC1 is a small GTPase protein that functions as a key signalling node downstream of various microenvironmental signalling pathways. Read more
 Supervisors: Dr RB Bryce, Dr S Butterworth, Dr T Jowitt, Dr A Ucar
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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EPSRC Centre for Doctoral Training in Aerosol Science

University of Bristol EPSRC Centre for Doctoral Training in Aerosol Science
Fully-funded 4-year PhD studentships are available as part of the EPSRC Centre for Doctoral training in Aerosol Science. Read more
 Funded PhD Programme (European/UK Students Only)  EPSRC Centre for Doctoral Training
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The Universities for Nottingham and the Centre for Sustainable Chemistry - PhD Scholarships available

Nottingham Trent University
We invite suitably qualified and highly motivated applicants from STEM disciplines to apply for a series of multidisciplinary PhD scholarships hosted by the University of Nottingham and Nottingham Trent University. Read more
 Funded PhD Programme (Students Worldwide)  4 Year PhD Programme
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The Universities for Nottingham and the Centre for Sustainable Chemistry - PhD Scholarships available

University of Nottingham
We invite suitably qualified and highly motivated applicants from STEM disciplines to apply for a series of multidisciplinary PhD scholarships hosted by the University of Nottingham and Nottingham Trent University. Read more
 Funded PhD Programme (Students Worldwide)  4 Year PhD Programme
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(University of Manchester - University of Tokyo Dual Award) Light- and Pressure-Controllable Magnets

The University of Manchester Department of Chemistry
This project tackles the complex interplay between light, pressure and magnetism, which lies at the heart of modern materials science, through the exploration of light- and pressure-responsive molecular magnets. Read more
 Supervisors: Dr J Skelton, Prof S Ohkoshi
 29 April 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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Developing novel Electron Paramagnetic Resonance Methods for Pulsed Dipolar Spectroscopy and Quantum Information Processing

The University of Manchester Department of Chemistry
In the last decade significant improvements in the hardware available for Electron Paramagnetic Resonance measurements. Read more
 Supervisors: Dr A Bowen, Prof E McInnes, Prof D Collison, Prof R Winpenny
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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(MRC DTP CASE) Prediction of substrate binding geometry and strength in promiscuous enzymes: computational chemistry applicable to the design of pharmaceuticals and agrochemicals

The University of Manchester Faculty of Biology, Medicine and Health
We are often taught about the power of enzymes to select particular substrates from the biological milieu and of their ability to perform highly selective reactions on those substrates. Read more
 Supervisors: Dr A Leach, Dr S De Visser, Dr C Trujillo
 13 May 2024  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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Design and Evolution of Enzymes with New Catalytic Functions

The University of Manchester Department of Chemistry
A fully funded studentship is available, based at the Manchester Institute of Biotechnology under the supervision of Prof Anthony Green. Read more
 Supervisor: Prof A Green
 31 May 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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Computational modelling of the human blood-brain barrier to tackle multidrug resistance and neurodegenerative disorders (molecular dynamics/deep generative learning/AI)

University of Portsmouth School of Pharmacy and Biomedical Sciences
By 2050 the number of people living with neurodegenerative disorders are set to double. Alzheimer’s disease in particular is set to become a public health emergency. Read more
 Supervisor: Prof C Jorgensen
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Synergistic Experimental and Data-driven Catalyst Development for Sustainable Synthesis

University of Edinburgh School of Chemistry
The Thomas Group in collaboration with GSK and Dr Ephrath Solel Moroshko are now recruiting a motivated PhD student to develop a new method for the discovery and application of sustainable catalysis. Read more
 Supervisors: Prof S Thomas, Dr E Solel Moroshko
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

University of Southampton Faculty of Engineering and Physical Sciences
Supervisory Team. Chris-Kriton Skylaris (80%) Jeremy Frey (20%). Project Description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more
 Supervisor: Prof C K Skylaris
 31 August 2024  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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Property-driven generative machine learning for tailored materials design

University of Warwick Department of Chemistry
A fully funded 4-year PhD project in property-driven generative machine learning for tailored materials design is available with a flexible 2023-2024 start date. Read more
 Supervisor: Dr R J Maurer
 17 May 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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EPSRC Centre for Doctoral Training in Technology Enhanced Chemical Synthesis (TECS)

University of Bristol School of Chemistry
Our PhD programme combines world-leading research in Chemical Synthesis with state-of-the-art training in technology and automation to prepare you for a career in modern synthetic chemistry, whether in industry or academic research. Read more
 Funded PhD Programme (Students Worldwide)  EPSRC Centre for Doctoral Training
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Uncertainty quantification for machine learning models of chemical reactivity

University of Nottingham School of Chemistry
In this PhD project, we will develop and implement approaches for estimating the uncertainty in AI predictions of chemical reactivity, to help strengthen the interaction between human chemists and machine learning algorithms and to assess when AI predictions are likely to be correct and when, for example, first principles quantum chemical calculations might be helpful. Read more
 Supervisors: Prof J D Hirst, Dr S Preston
 12 May 2024  PhD Research Project  Funded PhD Project (UK Students Only)
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