Computational Chemistry (equality) PhD Projects, Programmes & Scholarships

We have 54 Computational Chemistry (equality) PhD Projects, Programmes & Scholarships

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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Barocaloric organic ionic plastic crystals and prototype development

University of Edinburgh School of Chemistry

A PhD studentship is available in the group of Dr Claire L. Hobday (School of Chemistry, The University of Edinburgh; ( http://www.chem.ed.ac.uk/staff/academic-staff/dr-claire-hobday ) in collaboration with Sunamp, UK (https://sunamp.com/#home/ ). Read more

Supervisor: Dr C Hobday

21 April 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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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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Electron Driven Chemistry in the Interstellar Medium

University of Edinburgh School of Chemistry

A PhD studentship is available joint between the groups of Cate Anstöter and Ewen Campbell, School of Chemistry, University of Edinburgh, see https://isla-edi.com/ . Read more

Supervisors: Dr C Anstoter, Dr E Campbell

30 August 2024 PhD Research Project Funded PhD Project (UK Students Only)

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The Physical Organic Chemistry of Non-covalent interactions and Solvent Effects

University of Edinburgh School of Chemistry

A PhD studentship is available in the group of Professor Scott Cockroft, School of Chemistry, the University of Edinburgh, see https://www.cockroft.chem.ed.ac.uk. Read more

Supervisor: Prof S L Cockroft

Year round applications PhD Research Project 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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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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Targeting the mechanism of small GTPase splice variant RAC1B using ligand design

The University of Manchester Faculty of Biology, Medicine and Health

RAC1 is a small GTPase protein that functions as a key signalling node downstream of various microenvironmental signalling pathways. Read more

Supervisors: Dr RB Bryce, Dr S Butterworth, Dr T Jowitt, Dr A Ucar

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

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High-throughput characterization and engineering of nucleotide synthases for production of nucleoside analogues

The University of Manchester Department of Chemistry

Nucleotides are the building blocks of life, modulating diverse processes from protein production to cell signalling. It is therefore unsurprising that synthetic nucleoside analogues have been developed as therapeutics for the treatment of a wide range of diseases including cancers and viral infections. Read more

Supervisors: Dr S Lovelock, Dr C Markin

31 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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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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Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

University of Edinburgh School of Engineering

The urgent need to mitigate climate change has led to increased focus on sustainable energy solutions. This includes the development of mixed matrix membranes (MMMs) for gas separation in net-zero applications. Read more

Supervisor: Dr ER Ricci

26 May 2024 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, Prof R Catlow

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

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Functional Materials Discovery Using Artificial Intelligence

University of Strathclyde Department of Chemistry

A fully funded PhD studentship (3 years) in computational chemistry (materials discovery) is open at the University of Strathclyde commencing October 2024. . Read more

Supervisor: Dr T Nematiaram

31 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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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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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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We have 54 Computational Chemistry (equality) PhD Projects, Programmes & Scholarships

Computational Chemistry (equality) PhD Projects, Programmes & Scholarships

We have 54 Computational Chemistry (equality) PhD Projects, Programmes & Scholarships

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