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We have 39 Computational Chemistry (energy) PhD Projects, Programmes & Scholarships

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Computational Chemistry (energy) PhD Projects, Programmes & Scholarships

We have 39 Computational Chemistry (energy) PhD Projects, Programmes & Scholarships

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Computational Screening of Supercapacitors

Heriot-Watt University School of Engineering & Physical Sciences
In order to be self-sufficient with relatively constant energy output, renewable energy sources, such as solar and wind, require that energy be stored during periods of high energy production so that it can be available during periods of low or zero energy production. Read more
 Supervisor: Prof PT Cummings
 Year round applications  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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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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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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Accelerating energy landscape exploration through optimisation, approximation and parallelisation

University of Liverpool School of Electrical Engineering, Electronics and Computer Science
Many heuristic methods (random walks, probabilistic selection, genetic algorithms) for energy landscape exploration in Crystal Structure Prediction (CSP) [1] are very important material discovery tools [2]. Read more
 Supervisor: Prof I Potapov
 30 June 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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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 May 2024  PhD Research Project  Funded PhD Project (UK Students Only)
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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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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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Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

The University of Manchester Department of Chemical Engineering
In an era marked by the urgent need for sustainable solutions, this project stands at the forefront of innovation in catalysis, focusing on the rational design of photo/electrocatalysts for nitrogen fixation and ammonia production. Read more
 Supervisors: Dr S Xu, Prof C Hardacre, Prof R Catlow
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

The University of Manchester Department of Chemical Engineering
In an era marked by the urgent need for sustainable solutions, this project stands at the forefront of innovation in catalysis, focusing on the rational design of photo/electrocatalysts for nitrogen fixation and ammonia production. Read more
 Supervisors: Dr S Xu, Prof C Hardacre
 Year round applications  PhD Research Project  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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Thermo-electric materials for tab cooling of advanced batteries

University of Southampton Faculty of Engineering and Physical Sciences
Supervisory Team.   Prof Richard Wills, Dr Iris Nandhakumar. Project description. Effective thermal management of lithium-based battery systems is important for optimising cell efficiency, reducing cell degradation and preventing catastrophic failure. Read more
 Supervisor: Dr R Wills
 31 August 2024  PhD Research Project  Competition 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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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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Operando Photoelectrochemical-X-Ray-Spectroscopies-Led Rational Discovery of New Pyrochlore Oxides for Water Electrolysis (DIA24/EE/MPEE/TIWARI)

Northumbria University Faculty of Engineering and Environment
The Scientific Premise. Amid escalating climate changes linked to global warming, the quest to efficiently convert solar energy into chemical fuel has never been more critical. Read more
 Supervisor: Dr D Tiwari
 7 May 2024  PhD Research Project  Funded PhD Project (UK Students Only)
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