Computational Chemistry (chemical) PhD Projects, Programmes & Scholarships

We have 75 Computational Chemistry (chemical) PhD Projects, Programmes & Scholarships

Modelling exsolution: materials design for sustainable energy

University of Strathclyde Department of Chemical and Process Engineering

One of the primary challenges for the global community is the supply of plentiful and affordable energy, moving the world away from dependence on fossil fuels by providing green alternatives. Read more

Supervisors: Dr P Mulheran, Dr D Neagu

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

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Organic coatings microstructure: insights from molecular simulations

The University of Manchester Department of Chemical Engineering

Watching paint dry can be fascinating. Painting a room can make it aesthetically pleasing, but paints can do much more than just please the eyes. Read more

Supervisor: Dr F Siperstein

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

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Autonomous Small Scale Stirring Devices to Enable Rapid Medical Diagnosis

University of Sheffield Department of Chemical & Biological Engineering

The reliance of modern healthcare on rapid medical diagnostic devices is very clear. for example lateral flow tests are a key part of the response to Covid-19. Read more

Supervisor: Dr S Ebbens

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

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Non-invasive Therapy for Soft Tissue Reconstruction: Applications in Cosmetics and Wound Healing

Newcastle University Faculty of Medical Sciences Graduate School

Soft tissue reconstruction is emerging as an important strategy to repair and replace diseased or damaged tissue that has been compromised due to tumour removal, injury, trauma, ageing, etc. Read more

Supervisors: Dr K Wooi Ng, Dr O Almusaimi

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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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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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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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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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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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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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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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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CDT-QTE: Magnetic Resonance Spectroscopy & Imaging at the Quantum Mechanical Performance Limit

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more

Supervisor: Dr I Kuprov

31 August 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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We have 75 Computational Chemistry (chemical) PhD Projects, Programmes & Scholarships

Computational Chemistry (chemical) PhD Projects, Programmes & Scholarships

We have 75 Computational Chemistry (chemical) PhD Projects, Programmes & Scholarships

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