Computational Chemistry (collaboration) PhD Projects, Programmes & Scholarships

Digital discovery of new photocatalysts for photoredox catalysis (EPSRC CDT PhD studentship in collaboration with AstraZeneca)

University of Liverpool Department of Chemistry

Photoredox catalysis has come to the forefront in organic synthesis as a powerful strategy for the activation of small molecules [1]. Read more

Supervisors: Dr JW Ward, Prof A Troisi

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

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The development of new antiviral agents targeting HIV-1

Newcastle University Faculty of Medical Sciences Graduate School

Even before the current global COVID-19 pandemic, the threat posed to human health by viruses was extensive and although significant progress in targeting some viruses (e.g., HIV-1 and hepatitis C) has been made, challenges remain. Read more

Supervisors: Dr M Ashton, Dr A Iannetti

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

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PhD in Chemistry: Studies in heterogeneous catalysts

Cardiff University Cardiff School of Chemistry

The Max Planck Centre for fundamental studies on heterogeneous catalyst was established in 2019 and has two themes operating on experimental heterogeneous catalysis; namely catalyst design and acetylene chemistry. Read more

Supervisors: Prof G J Hutchings, Prof S Taylor

Year round applications 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

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

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MScR - Computational modelling to investigate the role of membrane microdomains in cell signalling

University of Bristol School of Physiology, Pharmacology & Neuroscience

The dynamic organization of the plasma membrane into specialized cholesterol-rich microdomains plays a crucial role in cellular signalling and the regulation of various biological processes. Read more

Supervisor: Dr RC Corey

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

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Developing novel Electron Paramagnetic Resonance Methods for Pulsed Dipolar Spectroscopy and Quantum Information Processing

The University of Manchester Department of Chemistry

In the last decade significant improvements in the hardware available for Electron Paramagnetic Resonance measurements. Read more

Supervisors: Dr A Bowen, Prof E McInnes, Prof D Collison, Prof R Winpenny

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

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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 Mechanical Engineering at the University of Bath is inviting applications for this funded PhD project expected to start 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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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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Large-scale electrochemical DFT models of a PEM hydrogen fuel cell

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team: Chris-Kriton Skylaris (90%) Andrea Russell (10%). Project description. Proton-exchange Membrane (PEM) hydrogen fuel cells are an emerging technology for environmentally sustainable transport and other carbon-neutral energy applications. Read more

Supervisor: Prof C K Skylaris

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

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Synergistic Experimental and Data-driven Catalyst Development for Sustainable Synthesis

University of Edinburgh School of Chemistry

The Thomas Group in collaboration with GSK and Dr Ephrath Solel Moroshko are now recruiting a motivated PhD student to develop a new method for the discovery and application of sustainable catalysis. Read more

Supervisors: Prof S Thomas, Dr E Solel Moroshko

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

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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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Design and Synthesis of Peptide-derived Receptors for Binding Small Molecules

University of Edinburgh School of Chemistry

A PhD studentship is available in the groups of Prof. Scott Cockroft and Dr Annamaria Lilienkampf School of Chemistry, The University of Edinburgh; https://www.cockroft.chem.ed.ac.uk in collaboration with DSTL. Read more

Supervisors: Prof S L Cockroft, Dr AL Lilienkampf

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

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The Universities for Nottingham and the Centre for Sustainable Chemistry - PhD Scholarships available

Nottingham Trent University

We invite suitably qualified and highly motivated applicants from STEM disciplines to apply for a series of multidisciplinary PhD scholarships hosted by the University of Nottingham and Nottingham Trent University. Read more

Funded PhD Programme (Students Worldwide) 4 Year PhD Programme

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The Universities for Nottingham and the Centre for Sustainable Chemistry - PhD Scholarships available

University of Nottingham

We invite suitably qualified and highly motivated applicants from STEM disciplines to apply for a series of multidisciplinary PhD scholarships hosted by the University of Nottingham and Nottingham Trent University. Read more

Funded PhD Programme (Students Worldwide) 4 Year PhD Programme

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We have 27 Computational Chemistry (collaboration) PhD Projects, Programmes & Scholarships

Computational Chemistry (collaboration) PhD Projects, Programmes & Scholarships

We have 27 Computational Chemistry (collaboration) PhD Projects, Programmes & Scholarships

Digital discovery of new photocatalysts for photoredox catalysis (EPSRC CDT PhD studentship in collaboration with AstraZeneca)

The development of new antiviral agents targeting HIV-1

PhD in Chemistry: Studies in heterogeneous catalysts

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

Machine Learning and Molecular Modelling in Mass Spectrometry

MScR - Computational modelling to investigate the role of membrane microdomains in cell signalling

Developing novel Electron Paramagnetic Resonance Methods for Pulsed Dipolar Spectroscopy and Quantum Information Processing

ZENITH PhD Project: Hydrodynamic and thermal performance of liquid hydrogen in cryogenic tanks

Liquid hydrogen fuelling process simulation – paving the way for digital twinning hydrogen safety

Large-scale electrochemical DFT models of a PEM hydrogen fuel cell

Synergistic Experimental and Data-driven Catalyst Development for Sustainable Synthesis

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

Design and Synthesis of Peptide-derived Receptors for Binding Small Molecules

The Universities for Nottingham and the Centre for Sustainable Chemistry - PhD Scholarships available

The Universities for Nottingham and the Centre for Sustainable Chemistry - PhD Scholarships available

We have 27 Computational Chemistry (collaboration) PhD Projects, Programmes & Scholarships

Computational Chemistry (collaboration) PhD Projects, Programmes & Scholarships

We have 27 Computational Chemistry (collaboration) PhD Projects, Programmes & Scholarships

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