Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students

We have 92 Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students

Programming Colloidal Self-Assembly for Advanced Materials

University of Birmingham School of Chemistry

A PhD place is available with Dr Dwaipayan Chakrabarti in the School of Chemistry at the University of Birmingham on a project themed on designing and developing colloidal advanced materials, using high-performance computing, underpinned by theories of statistical mechanics and wave propagation in periodic structures. Read more

Supervisor: Dr D Chakrabarti

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Atomistic Simulations of Surface Chemistry underpinning the Atomic-Scale Processing of Materials for AI-driven Nanoelectronics Applications

University of Warwick Department of Chemistry

Project description. Atomic layer deposition (ALD) and atomic layer etching (ALE) are crucial technologies in semiconductor processing, especially as nanoelectronics devices become smaller and more complex. Read more

Supervisor: Dr BK Karasulu

3 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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PhD in Chemistry: Studies in heterogeneous catalysts

Cardiff University Cardiff School of Chemistry

The Max Planck Centre for fundamental studies on heterogeneous catalyst was established in 2019 and has two themes operating on experimental heterogeneous catalysis; namely catalyst design and acetylene chemistry. Read more

Supervisors: Prof G J Hutchings, Prof S Taylor

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

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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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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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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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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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We have 92 Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students

Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students

We have 92 Computational Chemistry PhD Projects, Programmes & Scholarships for UK Students

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