Computational Chemistry (solar) PhD Projects, Programmes & Scholarships

We have 9 Computational Chemistry (solar) PhD Projects, Programmes & Scholarships

Computational exploration of substrates and interfaces for thin film solar cells

University of Liverpool Department of Chemistry

To address the challenge of net-zero carbon a diverse energy generation landscape is required of which photovoltaics (PV) is a major constituent. Read more

Supervisors: Dr M Dyer, Dr T Manning

31 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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Filming photosynthesis: using molecular dynamics simulations and fluorescence experiments to assess the dynamics of light harvesting proteins

University of Leeds Faculty of Engineering and Physical Sciences

The plant protein Light-Harvesting Complex II (LHCII) allows efficient absorption of solar energy and is essential for photosynthesis. Read more

Supervisors: Dr P.G. Adams, Dr A Kalli

28 June 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Property-driven generative machine learning for tailored materials design

University of Warwick Department of Chemistry

A fully funded 4-year PhD project in property-driven generative machine learning for tailored materials design is available with a flexible 2023-2024 start date. Read more

Supervisor: Dr R J Maurer

17 May 2024 PhD Research Project 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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High-throughput first-principle simulations of charge transport in organic semiconductors

University of Liverpool Department of Mathematical Sciences

This project focuses on application of first-principle, fully quantum simulation methods such as Hybrid Monte-Carlo to study charge transport in a vast class of quasi-2D molecular organic semiconductors (rubrene, pentacene, and >4000 other materials). Read more

Supervisors: Dr P Buividovich, Prof A Troisi

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

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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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PhD in Chemistry: Enhancing organic room-temperature phosphorescence through supramolecular approaches

Cardiff University Cardiff School of Chemistry

Dr Yi-Lin Wu - People - Cardiff University is looking for a PhD student to work on the research project “Enhancing organic room-temperature phosphorescence through supramolecular approaches.” The project involves the design and synthesis of triplet-forming organic chromophores and the investigation of their photophysical properties induced by supramolecular interactions. Read more

Supervisor: Dr Y Wu

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

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We have 9 Computational Chemistry (solar) PhD Projects, Programmes & Scholarships

Computational Chemistry (solar) PhD Projects, Programmes & Scholarships

We have 9 Computational Chemistry (solar) PhD Projects, Programmes & Scholarships

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