Computational Chemistry (systems) PhD Projects, Programmes & Scholarships

We have 34 Computational Chemistry (systems) PhD Projects, Programmes & Scholarships

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Ageing Assessment of Transformer Insulation Systems through Molecular Dynamic Simulation

The University of Manchester Department of Electronic and Electrical Engineering

The accurate assessment of the remaining lifetime of transformer insulation systems has always been a challenge faced by the transformer industry. Read more

Supervisors: Prof Z.D Wang, Dr S Matharage

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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Antimatter Chemistry: computational studies of matter-antimatter interactions

Aberdeen University School of Natural and Computing Sciences

These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more

Supervisors: Dr M Law, Dr W T A Harrison

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

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Absorption of gases in nano-confined liquids studied by total neutron scattering

The University of Manchester Department of Chemical Engineering

Advances in gas capture and storage research directly contribute to lowering the impact of industrial chemical processes on climate change and enable the move towards Net Zero goals. Read more

Supervisors: Dr M Falkowska, Dr T Hughes, Prof C Hardacre

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

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Understanding Nonlinear Dynamics of Associative Polymers for Healthcare and Sustainable Applications: Computer Simulations and Mathematical Modelling

University of Reading Department of Mathematics and Statistics

Introduction. Associative polymers are macromolecules containing associative groups, also called stickers, that undergo reversible association to physically cross link the polymers into transient networks. Read more

Supervisors: Dr Z Wang, Dr A Lukyanov

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

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Understanding shale rock swelling for energy systems: novel integrated modelling and experimental approaches

The University of Manchester Department of Chemistry

A fully funded PhD position is available in the group of Professor Carbone (Department of Chemistry) and Professor Taylor (Department of Earth Science) at the University of Manchester starting from September 2024. Read more

Supervisors: Dr P Carbone, Prof K Taylor

31 August 2024 PhD Research Project Funded PhD Project (UK Students Only)

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Reaction Monitoring and Structural Characterisation of Coordination Driven Self-Assembled Systems by Ion Mobility-Mass Spectrometry

UNSW Sydney School of Chemistry

Can you envisage a world where building a new catalyst or an artificial enzyme is like following an architectural plan for building a house? This is difficult as we don't even fully understand the construction materials! We research the properties of molecular building-blocks and their "constructed" aggregates, towards drawing up these type of blueprints. Read more

Supervisor: Dr N Rijs

Year round applications PhD Research Project Competition 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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PhD Studentship in Understanding non-equilibrium dynamics using Quantum dynamics

Newcastle University School of Natural and Environmental Sciences

Award summary . 100% of home fees covered, and a minimum tax-free annual living allowance of £19,237 (2024/25 UKRI rate). . Read more

Supervisor: Prof T J Penfold

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

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PhD Studentship in the atomistic dynamics of mechanochemical reactivity

University of Birmingham School of Chemistry

Applications are sought for a fully funded 3.5-year PhD position in the group of Dr Adam Michalchuk in the School of Chemistry at the University of Birmingham to start Oct. Read more

Supervisor: Dr A Michalchuk

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

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Discover doctoral opportunities at the Information School

University of Sheffield Information School

The Information School. A long established and highly respected department, the Information School is the number one department of its kind in Europe, and second in the world according to the QS World University Rankings by Subject 2019. Read more

Funded PhD Programme (European/UK Students Only) Social Sciences Research Programme

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

University of Bath Department of Chemical Engineering

The Department of Mechanical Engineering at the University of Bath is inviting applications for this funded PhD project expected to start 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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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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We have 34 Computational Chemistry (systems) PhD Projects, Programmes & Scholarships

Computational Chemistry (systems) PhD Projects, Programmes & Scholarships

We have 34 Computational Chemistry (systems) PhD Projects, Programmes & Scholarships

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