Physical Chemistry (simulation) PhD Projects, Programmes & Scholarships

Elucidating molecular transport mechanisms through atomistic simulations

University of Edinburgh School of Engineering

Membrane-based processes for water treatment, such as reverse osmosis (RO), hold promise in tackling water scarcity locally and globally. Read more

Supervisors: Dr S Romero-Vargas Castrillon, Dr R Pillai

6 December 2024 PhD Research Project Self-Funded PhD Students Only

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Predicting drug solubility in different solvents using molecular simulation and machine learning

University of Strathclyde Department of Chemical and Process Engineering

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1]. Read more

Supervisors: Dr M Jorge, Prof C Price

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 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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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

Open Day(s) Year round applications PhD Research Project Self-Funded PhD Students Only

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Defining the state-of-the-art in X-ray and electron spectroscopies for discerning the characteristic electronic structure of actinide materials

The University of Manchester Department of Chemistry

An EPSRC centre for doctorial training sponsored PhD studentship is available to undertake research in the field of actinide X-ray and electron spectroscopy in a collaborative project between AWE and two research groups at the University of Manchester. Read more

Supervisors: Dr M Baker, Dr R Harrison

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

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CDT-QTE: Driven propagation of quantum order down a nuclear spin wire

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team. Prof Malcolm Levitt FRS, Dr Marina Carravetta, Prof Ilya Kuprov. 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: Prof M Levitt

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

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CDT-QTE: Symmetry-based optimal control of nuclear spins

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team. Prof Malcolm Levitt FRS, Dr Marina Carravetta, Prof Ilya Kuprov. 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: Prof M Levitt

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

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Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team. Chris-Kriton Skylaris (80%) Jeremy Frey (20%). 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

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

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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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Going beyond the mass scale: Exploiting state-of-the-art instrumentation to add molecular structure to 3D mass spectrometry imaging

University of Surrey School of Mechanical Engineering Sciences

The Surrey Group have been active in secondary ion mass spectrometry (SIMS) for over thirty years using the method to unravel the complexities of interface… Read more

Supervisors: Prof J F Watts, Dr GTF F Trindade , Dr MLA Laure Abel , Prof IG Gilmore

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

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Hydrothermal Processing of Biomass and Organic Waste to Produce Fuel and Value-added Products

University of Bradford Faculty of Engineering & Digital Technologies

In the past decades, an excessive use of fossil fuels due to the steady increase in World’s energy demand had a significant impact on the environment. Read more

Supervisors: Dr P Arcelus Arrillaga, Dr Y John

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

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Soft Flexible and Stretchable Energy Storage Device Development

Edinburgh Napier University School of Computing, Engineering & the Built Environment

Hybrid energy storage offers multiple advantages in electrochemical energy storage especially for portable electronic gadgets and autonomous systems due to its high energy and power density. Read more

Supervisor: Dr LM Manjakkal

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

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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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Understanding structure and dynamics at complex liquid-solid interfaces

Durham University Department of Chemistry

A basic aim in chemistry is to understand and control the structure of materials at the atomic scale. We now have many tools at our disposal to characterise and manipulate atomic structure under "clean" conditions e.g., under vacuum. Read more

Supervisors: Dr MA Miller, Dr S Cox

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

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We have 19 Physical Chemistry (simulation) PhD Projects, Programmes & Scholarships

Physical Chemistry (simulation) PhD Projects, Programmes & Scholarships

We have 19 Physical Chemistry (simulation) PhD Projects, Programmes & Scholarships

Elucidating molecular transport mechanisms through atomistic simulations

Predicting drug solubility in different solvents using molecular simulation and machine learning

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

Simulating Dynamic Battery Interfaces: In Search of Next Generation Lithium Batteries

Machine Learning and Molecular Modelling in Mass Spectrometry

Defining the state-of-the-art in X-ray and electron spectroscopies for discerning the characteristic electronic structure of actinide materials

CDT-QTE: Driven propagation of quantum order down a nuclear spin wire

CDT-QTE: Symmetry-based optimal control of nuclear spins

Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

Property-driven generative machine learning for tailored materials design

Going beyond the mass scale: Exploiting state-of-the-art instrumentation to add molecular structure to 3D mass spectrometry imaging

Hydrothermal Processing of Biomass and Organic Waste to Produce Fuel and Value-added Products

Soft Flexible and Stretchable Energy Storage Device Development

Pushing the scale boundaries for degradation simulations of industrially relevant materials

Understanding structure and dynamics at complex liquid-solid interfaces

We have 19 Physical Chemistry (simulation) PhD Projects, Programmes & Scholarships

Physical Chemistry (simulation) PhD Projects, Programmes & Scholarships

We have 19 Physical Chemistry (simulation) PhD Projects, Programmes & Scholarships

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