We have 145 computational chemistry PhD Projects, Programmes & Scholarships

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computational chemistry PhD Projects, Programmes & Scholarships

We have 145 computational chemistry PhD Projects, Programmes & Scholarships

PhD studentship in Cocrystals as Probes for the Local Conditions in Resonant Acoustic Mixing

University of Birmingham

School of Chemistry

PhD studentship in Cocrystals as Probes for the Local Conditions in Resonant Acoustic Mixing. Applications are sought for a fully funded PhD studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with the Defence Science and Technology Laboratory (Dstl). Read more

Supervisors: Dr A Michalchuk, Prof T F Friscic

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

Molecular Modelling and Data-Driven Discovery of Sustainable Home-Care Products

University of Liverpool

School of Engineering

This project pioneers formulation design by integrating statistical optimisation tools with advanced molecular-scale simulations and industrial wet-chemistry validation. Read more

Supervisors: Dr AF Finney, Prof S Maskell

31 August 2026 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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

4 Year GTA - Chemical energy conversion in biology studied using advanced spectroscopic and structural tools

University of Leicester

Department of Chemistry

Open to UK applicants only. The School of Chemistry has fully-funded Graduate Teaching Assistant (GTA) studentships available for UK applicants, starting in September 2026. Read more

Supervisors: Dr PA Ash, Dr PR Macia

22 June 2026 PhD Research Project Competition Funded PhD Project (UK Students Only)

Computational and Functional Comprehensive Analysis of Natural Variants of GPCRs towards a personalized medicine approach

Queen’s University Belfast

School of Pharmacy

This project investigates the impact of natural genetic variations on a specific G protein-coupled receptor (GPCR), focusing on its structure, function, and drug interactions. Read more

Supervisors: Dr I Tikhonova, Dr B Plouffe

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

PhD in Chemistry: Sustainable Main Group Catalysis Using Frustrated Lewis Pairs

Cardiff University

Cardiff School of Chemistry

Prof. Rebecca Melen is looking for an enthusiastic PhD student to join her team on an ERC funded project on sustainable catalysis. Read more

Supervisor: Prof R Melen

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

4 yr PhD Studentships in Bioinspired and Sustainable Materials (Experimental & Computational)

University of Strathclyde

Department of Pure and Applied Chemistry

Multiple PhD scholarships are available for experimental and computational students with background in one or more of the following disciplines. Read more

Supervisor: Dr K.H.A Lau

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

EPSRC Centre for Doctoral Training in Technology Enhanced Chemical Synthesis (TECS)

University of Bristol

School of Chemistry

Our PhD programme combines world-leading research in Chemical Synthesis with state-of-the-art training in technology and automation to prepare you for a career in modern synthetic chemistry, whether in industry or academic research. Read more

Funded PhD Programme (Students Worldwide) EPSRC Centre for Doctoral Training

Development and Optimisation of Adsorbents for the Detection and Environmental Remediation of Organic Pollutants

Heriot-Watt University

Institute of Chemical Sciences

Background. Per- and polyfluoroalkyl substances (PFAS) are now recognised as one of the most persistent and widespread classes of environmental contaminants. Read more

Supervisors: Dr M Little, Prof S J Dalgarno

3 July 2026 PhD Research Project Competition Funded PhD Project (UK Students Only)

Building new nano-biosensors for healthcare: Linking biology to the world of carbon nanotechnology through synthetic biology

Cardiff University

Cardiff School of Biosciences

Research Group: Molecular Biosciences

Proteins are nature’s very own molecular machines carrying out functions ranging from catalysis to molecular recognition to energy conversion. Read more

Supervisors: Prof D Jones, Prof M Palma, Dr WK Kelton

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

Design and characterization of immunomodulatory glycopolymers

University of Nottingham

School of Pharmacy

PhD Opportunity. Surfaces, Macrophage Behavior, and Glycopolymer Design. We are seeking motivated candidates for a PhD project positioned at the exciting intersection of polymer chemistry and immunology. Read more

Supervisors: Dr G Mantovani, Dr A Piccinini

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

MAPS - Machine-learning Assisted Prioritisation of natural product Scaffolds

University of Aberdeen

School of Natural and Computing Sciences

These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more

Supervisors: Prof H Deng, Dr L Trembleau

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

PhD Studentship in Synthetic Inorganic Chemistry

University of Edinburgh

School of Chemistry

Illuminating novel reactivity at main-group centres. Heavy carbene analogues, silylenes, germylenes, stannylenes, plumbylenes, and their group 13 relatives, should display dramatically enhanced reactivity in their triplet electronic states yet accessing and studying these species remains a fundamental challenge. Read more

Supervisors: Dr M Cowley, Dr R Kong

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

A Supramolecular Approach to Advanced Materials Through Computational Design

Heriot-Watt University

Institute of Chemical Sciences

Context. There is an important global need to design new materials with improved safety and advanced functionality for defence and civilian applications. Read more

Supervisors: Prof S J Dalgarno, Prof M Paterson, Dr M Little

31 August 2026 PhD Research Project Funded PhD Project (UK Students Only)

4 year GTA - Novel sensors/assays for healthcare applications

University of Leicester

Department of Chemistry

Open to UK applicants only. The School of Chemistry has fully-funded Graduate Teaching Assistant (GTA) studentships available for UK applicants, starting in September 2026. Read more

Supervisors: Prof S A Piletsky, Dr S Kilpatrick

22 June 2026 PhD Research Project Competition Funded PhD Project (UK Students Only)

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