Computational Chemistry (power) PhD Projects, Programmes & Scholarships

We have 12 Computational Chemistry (power) PhD Projects, Programmes & Scholarships

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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Digital Routes to Next Generation Solid Oxide Electrolysis Cells

University of Liverpool Department of Chemistry

A key technology in the drive towards net-zero emissions is the production of green hydrogen by electrolysis powered by renewable energy. Read more

Supervisors: Prof M J Rosseinsky, Dr B Peng

30 June 2024 PhD Research Project 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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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

Year round applications PhD Research Project Self-Funded PhD 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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Impact of helium from nuclear transmutation and from plasma on tritium trapping in fusion structural and plasma-facing component

University of Birmingham School of Metallurgy & Materials

Background. Future fusion energy concepts such as ITER, DEMO or STEP rely upon deuterium-tritium (D-T) fusion reaction, which holds the promise of generating limitless clean energy. Read more

Supervisor: Prof A B Bhattacharya

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

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Accurate and Efficient Modelling of X-ray Spectra for the Nuclear Fuel Cycle

The University of Manchester Department of Chemistry

Leading nations are transitioning to renewable energy and reducing carbon emissions with a major focus on increasing resource efficiency and sustainability. Read more

Supervisors: Dr M Oakley, Dr M Baker

26 April 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Computationally driving automated functional materials discovery for net zero technologies with machine reasoning and decision-making

University of Liverpool Department of Chemistry

This project, suited to a student with a Computer Science or Mathematics background, will formally define the nature and consequences of the decisions that need to be made in the automated workflow and identify both the optimal combination of existing methods and tools to accelerate discovery and the gaps in capability that currently exist. Read more

Supervisors: Prof RIJ Ibsen-Jensen, Prof M J Rosseinsky

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

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Automated experimental functional materials discovery for net zero technologies

University of Liverpool Department of Chemistry

The discovery of materials that will drive technologies for the net zero transition, such as batteries, solar absorbers, rare-earth-free magnets for wind power and myriad other unmet needs, is a scientific and societal grand challenge that requires experimental realisation of materials in the laboratory. Read more

Supervisor: Prof M J Rosseinsky

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

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Enabling CO2 Capture and Storage Using AI

Heriot-Watt University School of Engineering & Physical Sciences

Carbon Capture and Storage (CCS) is one of the viable solutions that can effectively reduce CO. 2. emissions from hard to decarbonise industries (e.g., steel, cement, power generation). Read more

Supervisors: Prof PT Cummings, Prof C McGabe

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

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Pushing the scale boundaries for degradation simulations of industrially relevant materials

University of Southampton Chemistry

Supervisory Team: Chris-Kriton Skylaris. 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

1 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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Fully-funded PhD Positions in the Life Sciences/Molecular Biosciences

Vienna Biocenter

30 Fully-funded PhD Positions in the Life Sciences/Molecular Biosciences. Empowering Curious Researchers at the Vienna BioCenter PhD Program. Read more

Funded PhD Programme (Students Worldwide) International PhD Programme Austria PhD Programme

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We have 12 Computational Chemistry (power) PhD Projects, Programmes & Scholarships

Computational Chemistry (power) PhD Projects, Programmes & Scholarships

We have 12 Computational Chemistry (power) PhD Projects, Programmes & Scholarships

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