Computational Chemistry (self funded) PhD Projects, Programmes & Scholarships

We have 23 Computational Chemistry (self funded) PhD Projects, Programmes & Scholarships

Theory and simulation of the ferro-electric nematic phase

The University of Manchester Department of Chemical Engineering

Liquid crystals turn up everywhere. They are the main constituent of displays, they are used in television screens and many health care products are liquid crystalline. Read more

Supervisor: Prof A Masters

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

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New Methods for modelling cofactor-dependent enzyme structure and function

The University of Manchester Department of Chemistry

Enzymes are Nature’s catalysts and many used cofactors and/or coenzymes to catalyse their reactions. While AI and homology methods now often allow the useful prediction of protein structure from amino acid sequence, this can be more challenging when the protein/enzyme contain cofactors. Read more

Supervisor: Prof S Hay

27 October 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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PhD in Chemistry: Computational design of new heterogeneous catalysts to support net zero: conversion of CO2 to methanol

Cardiff University Cardiff School of Chemistry

Computational design of new heterogeneous catalysts to support net zero. conversion of CO2 to methanol . PhD Supervisor. Dr. Read more

Supervisor: Dr A Logsdail

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

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PhD in Chemistry - Microwave assisted synthesis of doped semiconductors for photocatalytic applications

Cardiff University Cardiff School of Chemistry

Microwave assisted synthesis of doped semiconductors for photocatalytic applications. Read more

Supervisor: Dr J Edwards

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

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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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PhD in Chemistry: Asymmetric catalysis using environmentally benign calcium complexes

Cardiff University Cardiff School of Chemistry

Dr Ben Ward http://www.cardiff.ac.uk/people/view/38527-ward-benjamin is looking for a PhD student to work on the research project ’Asymmetric catalysis using environmentally benign calcium complexes’. Read more

Supervisor: Dr B Ward

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

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PhD in Chemistry: Three-dimensional imaging of nanoparticles in liquid environments

Cardiff University Cardiff School of Chemistry

This project aims to develop new techniques in electron microscopy to characterise the structure of nanoparticles in a variety of liquids. Read more

Supervisor: Dr T Slater

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

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PhD in Chemistry: Computer simulation of metal-amyloid interaction and its role in plaque formation

Cardiff University Cardiff School of Chemistry

Alzheimer’s disease is one of the greatest healthcare challenges facing 21st century society. AD is associated with formation of fibrils and plaques in brain tissue that impair proper functioning of neurons. Read more

Supervisor: Prof J Platts

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

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Novel materials-modelling strategies to guide experimental design and optimisation of high-entropy alloys

The University of Manchester Department of Chemistry

High-entropy alloys (HEAs) are a new class of crystalline materials incorporating five or more components distributed homogenously over atomic sites. Read more

Supervisors: Dr J Skelton, Dr D Lewis

31 July 2024 PhD Research Project Self-Funded PhD Students Only

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Modelling and Computation for Radiation Chemistry at Interfaces

The University of Manchester Department of Mathematics

This project is an interdisciplinary collaboration between Mathematics and Chemistry. Real-world applications include safe radioactive wate disposal, plutonium stewardship and radiation based cancer care. Read more

Supervisors: Dr M Webb, Prof F Currell

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

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Deep-learning for semantic-based information extraction from natural language

Anglia Ruskin University ARU School of Computing and Information Science

Research Group: Computing, Informatics and Applications Research Group

Research Group. Computing, Informatics and Applications Research Group. Proposed supervisory team. Dr Arooj Fatima. Dr Cristina Luca. Read more

Supervisors: Dr A Fatima, Dr C Luca

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

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Design and engineering of peptides and proteins to create artificial metalloenzymes

Cardiff University Cardiff School of Chemistry

The Rhys lab is an exciting new lab looking to recruit new students to design and engineer peptides and proteins for new applications (rhyslab.com). Read more

Supervisor: Dr G Rhys

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

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PhD in Chemistry: Structural effects in alternating biodegradable polymers

Cardiff University Cardiff School of Chemistry

Dr Alison Paul Dr Alison Paul - People - Cardiff University is looking for a PhD student to join the Soft Matter Research Group for a project on “Structural effects in alternating biodegradable polymers”. Read more

Supervisor: Dr A Paul

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

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Accelerated Inorganic Materials Discovery Driven by Magnetic Resonance

University of Liverpool Department of Chemistry

This studentship will explore experimental and computational Nuclear Magnetic Resonance (NMR) spectroscopy approaches to probe the fast oxide ion transport (e.g., self-diffusion coefficients, diffusion pathways, dimensionality of motion) of oxide in inorganic materials aimed at establishing design rules for the discovery of next generation fast conductors. Read more

Supervisors: Prof F Blanc, Dr M Dyer

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

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Development of bespoke algorithms for autonomous optimisation in flow

University of Liverpool Department of Chemistry

A key challenge in materials science is how to efficiently and sustainably arrive at the optimal conditions for material production. Read more

Supervisor: Dr A Slater

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

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We have 23 Computational Chemistry (self funded) PhD Projects, Programmes & Scholarships

Computational Chemistry (self funded) PhD Projects, Programmes & Scholarships

We have 23 Computational Chemistry (self funded) PhD Projects, Programmes & Scholarships

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