Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students

We have 116 Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students

PhD Studentship: Polyoxoniobates for Catalysis in Green Chemical Processes

Newcastle University School of Natural and Environmental Sciences

Award summary . 100% fees covered, and a minimum tax-free annual living allowance of £19,237 (2024/25 UKRI rate). The studentship includes attendance at international conferences and annual placements at Mitsubishi Chemical UK, Wilton. . Read more

Supervisor: Dr R.J. Errington

8 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Simulating Dynamic Battery Interfaces: In Search of Next Generation Lithium Batteries

University of Liverpool School of Engineering

Improving battery technologies is essential to power the next generation of electric vehicles, and for future energy storage systems that will facilitate the transition to net-zero. Read more

Supervisors: Dr AF Finney, Prof LH Hardwick

31 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Machine Learning and Molecular Modelling in Mass Spectrometry

University of Leeds Faculty of Biological Sciences

This PhD project will harness the power of computational modelling and machine learning (A.I.) to analyse data obtained by mass spectrometry experiments and predict structural characteristics of biomolecules and their interactions. Read more

Supervisors: Prof F. Sobott, Dr A Kalli, Dr H Wang

Open Day(s) Year round applications PhD Research Project Self-Funded PhD Students Only

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Using Natural Language Processing and molecular simulations to build polymer databases

The University of Manchester Department of Chemistry

A fully funded PhD position in multiscale modelling of polymer composites is available in the group of Professor Carbone at the University of Manchester from October 2024. Read more

Supervisor: Dr P Carbone

Year round applications PhD Research Project Funded PhD Project (UK Students Only)

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Accelerated Inorganic Materials Discovery Driven by Magnetic Resonance

University of Liverpool Department of Chemistry

This studentship will explore experimental and computational Nuclear Magnetic Resonance (NMR) spectroscopy approaches to probe the fast oxide ion transport (e.g., self-diffusion coefficients, diffusion pathways, dimensionality of motion) of oxide in inorganic materials aimed at establishing design rules for the discovery of next generation fast conductors. Read more

Supervisors: Prof F Blanc, Dr M Dyer

30 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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MScR - Computational modelling to investigate the role of membrane microdomains in cell signalling

University of Bristol School of Physiology, Pharmacology & Neuroscience

The dynamic organization of the plasma membrane into specialized cholesterol-rich microdomains plays a crucial role in cellular signalling and the regulation of various biological processes. Read more

Supervisor: Dr RC Corey

Year round applications PhD Research Project Self-Funded PhD Students Only

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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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ZENITH PhD Project: Hydrodynamic and thermal performance of liquid hydrogen in cryogenic tanks

University of Bath Department of Chemical Engineering

The Department of Chemical Engineering at the University of Bath is inviting applications for this funded PhD project expected to commence in September 2024. Read more

Supervisors: Prof J Chew, Dr C Moreno, Dr ATR Rhead

30 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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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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Building Enzymes with New Catalytic Functions & 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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Development of NMR Methods for the Study of Dynamics in Solids

University of Liverpool Department of Chemistry

One fully funded PhD studentship is available in the area of nuclear magnetic resonance (NMR) of solids. The position is available for 42-months starting in October 2024. Read more

Supervisor: Prof F Blanc

30 April 2024 PhD Research Project Funded PhD Project (UK Students Only)

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New methods for modelling radionuclide binding proteins

The University of Manchester Department of Chemistry

The management of radioactively contaminated land and water is a multi-billion pound, 100+ year grand challenge that requires innovation to minimise costs. Read more

Supervisors: Prof S Hay, Dr L Natrajan

Year round applications PhD Research Project Competition Funded PhD Project (UK Students Only)

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High-throughput characterization and engineering of nucleotide synthases for production of nucleoside analogues

The University of Manchester Department of Chemistry

Nucleotides are the building blocks of life, modulating diverse processes from protein production to cell signalling. It is therefore unsurprising that synthetic nucleoside analogues have been developed as therapeutics for the treatment of a wide range of diseases including cancers and viral infections. Read more

Supervisors: Dr S Lovelock, Dr C Markin

31 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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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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Liquid hydrogen fuelling process simulation – paving the way for digital twinning hydrogen safety

Aberdeen University School of Engineering

The quest for sustainable energy solutions has increasingly spotlighted hydrogen as a key player in transitioning to a greener future. Read more

Supervisors: Dr H Tan, Dr Y Zhang, Mr O Quake, Dr Y Sevcenco

27 April 2024 PhD Research Project Funded PhD Project (UK Students Only)

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We have 116 Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students

Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students

We have 116 Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students

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