We have 114 molecular modelling PhD Projects, Programmes & Scholarships

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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Molecular Modelling and Simulation for Solid Adsorbents for Industrial Carbon Capture

University of Sheffield Department of Chemical & Biological Engineering

Carbon capture and storage (CCS) is viewed as a key technology to reduce anthropogenic CO2 emissions worldwide. In addition to solvent based carbon… Read more

Supervisor: Prof M Wang

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

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Structure-based design of allosteric modulators for G protein-coupled receptors using molecular modelling and pharmacology experiments

Queen’s University Belfast School of Pharmacy

Almost all physiological processes are regulated through the activation of G protein-coupled receptors (GPCRs). It has become widely accepted that most GPCRs possess binding sites spatially distinct from their natural ligand binding site (orthosteric site), termed as allosteric sites. Read more

Supervisors: Dr I Tikhonova, Dr B Plouffe

Year round applications PhD Research Project Self-Funded PhD 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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Computational modelling of the human blood-brain barrier to tackle multidrug resistance and neurodegenerative disorders (molecular dynamics/deep generative learning/AI)

University of Portsmouth School of Pharmacy and Biomedical Sciences

By 2050 the number of people living with neurodegenerative disorders are set to double. Alzheimer’s disease in particular is set to become a public health emergency. Read more

Supervisor: Prof C Jorgensen

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

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Mathematical Machine Learning for Molecular Modeling

University of Birmingham School of Mathematics

Project description. This PhD project aims to develop Machine Learning methods for Molecular Modeling with a particular focus on aspects relevant to dynamics preserving coarse-graining strategies. Read more

Supervisor: Dr M Sachs

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

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The genetic map of human molecular phenotypes

University of Bristol Bristol Medical School

Rationale. Genome wide associations studies (GWASs) have discovered many genetic associations with a large range of human traits, but the functional consequences of GWAS signals often remain elusive, as most GWAS signals reside in non-coding genomic regions. Read more

Supervisors: Dr J Min, Dr G Hemani, Dr JH Hawe

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

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Predictive design of drug co-crystals through correlative studies of inter-molecular interactions

University of Leeds Faculty of Engineering and Physical Sciences

Research Group: School of Chemical and Process Engineering

This interdisciplinary project presents an exciting opportunity for an ambitious scientist or engineer to work across the boundaries of chemistry, physics and engineering, with opportunities to develop a broad portfolio of skills. Read more

Supervisor: Dr A R Pallipurath

29 April 2024 PhD Research Project Funded PhD Project (UK 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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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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Polymeric materials in extreme environments: An exploration of polymer network structure in high-performance epoxy-amine thermosets for use in marine environments (Ref:RDFC24/HLS/APP/UNTHANK)

Northumbria University Faculty of Health and Life Sciences

This fully funded PhD studentship will explore the fundamental material, molecular and network-forming properties that deliver optimal performance in epoxy-amine thermoset polymer coatings. Read more

Supervisors: Prof M Unthank, Dr M Sims

29 April 2024 PhD Research Project Funded PhD Project (UK Students Only)

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In Silico targeting of unstructured extracellular histones: En route to a new horizon of drug discovery to target disordered proteins) – second call for applications

Maastricht University Cardiovascular Research Institute Maastricht (CARIM)

Applications can only be submitted via our website. The specific position for Doctoral Candidate 6 (DC6) in the consortium, which is part of Work Package 2 (WP2), aims. Read more

Supervisor: Dr G Nicolaes

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

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Designed Synthesis of Novel Zeolite Catalysts

University of St Andrews School of Chemistry

Nanoporous zeolites play a key role as catalysts in the chemical industry, in reactions as diverse as environmental catalysis and biorefining, and in separation of low molecular weight gases and hydrocarbon vapours. Read more

Supervisor: Prof P A Wright

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

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Design and synthesis of chemical tools to interrogate cannabinoid receptors - synthetic, medicinal chemistry

University of Otago Department of Chemistry

Research project. We are seeking a highly motivated PhD candidate to join an interdisciplinary team at the University of Otago, to undertake research developing chemical probes for the cannabinoid receptor, a type of G protein-coupled receptor (GPCR). Read more

Supervisor: Dr AJ Vernall

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

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Investigating the role of P2X7 receptor intracellular domains in cell signalling

Cardiff University Cardiff School of Biosciences

Project description. P2X7 receptors are ion channels that are found on the surface of immune cells, where they respond to the binding of extracellular ATP, a damage signal released by dying cells in infection and injury. Read more

Supervisors: Dr M Young, Dr J Parker

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

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Fully-funded PhD position available in data-driven design of amorphous porous materials at the Department of Chemistry, Imperial College London

Imperial College London Department of Chemistry

Glasses are highly disordered materials, typically formed by cooling liquids on a timescale fast enough to prevent crystallisation; they are typically formed from inorganic, organic, and metallic chemistries. Read more

Supervisor: Dr Kim Jelfs

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

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Enhancing PMMA Bone Cement Performance and Biocompatibility using Metal-Organic Frameworks

University of Portsmouth School of Pharmacy and Biomedical Sciences

Applications are invited for a self-funded, 3 year full-time or 6 year part-time PhD project. The PhD will be based in the School of Pharmacy and Biomedical Sciences and will be supervised by Dr Marta Roldo and Professor Paul Cox. Read more

Supervisors: Dr M Roldo, Prof P Cox

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

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Optimizing phage-antibiotic-synergies to kill bacterial pathogens

The University of Manchester Faculty of Biology, Medicine and Health

Phage therapy, the use of viruses that only infect bacterial cells and kill them, is a promising potential solution to the antimicrobial resistance crisis that is threatening modern medicine1. Read more

Supervisors: Prof M Brockhurst, Dr CI Igler

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

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Modelling of multi component dendritic growth

University of Birmingham School of Metallurgy & Materials

ARCANE is a collaborative research project across three leading UK universities and Rolls-Royce plc. Read more

Supervisor: Dr N Warnken

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

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PhD Studentship in Molecular Simulations of Food Biotribology

Imperial College London Department of Mechanical Engineering

Applications are invited for a research studentship in the field of Molecular Simulations of Food Biotribology, leading to the award of a PhD degree. The post is supported by a bursary and fees (at the UK student rate) provided by the Mechanical Engineering Department, and it is open to ‘home’ students. Read more

Supervisor: Dr J Ewen

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

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Creation of cell lines modelling complex karyotype in B cell lymphomas using CRISPR/Cas9

University of Liverpool Institute of Systems, Molecular and Integrative Biology

Chronic lymphocytic leukaemia (CLL) and diffuse large B cell lymphoma (DLBCL) make up more than half of all the newly diagnosed cases of non-Hodgkin’s lymphoma (NHL), the 6th most common cancer in the UK. Read more

Supervisors: Dr J Slupsky, Dr N Kalakonda, Dr M Glenn

1 May 2024 PhD Research Project Self-Funded PhD Students Only

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Advanced computational modelling of nanobubble cavitation dynamics

University of Edinburgh School of Engineering

Rapid changes in pressure, such as in high-frequency ultrasound, can stimulate bubbles to nucleate, oscillate, and collapse violently, in a phenomenon known as cavitation. Read more

Supervisor: Dr DD Dockar

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

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Using Natural Language Processing and molecular simulations to build polymer databases

The University of Manchester Department of Chemistry

A fully funded PhD position in multiscale modelling of polymer composites is available in the group of Professor Carbone at the University of Manchester from October 2024. Read more

Supervisor: Dr P Carbone

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

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Computational Modelling of Organometallic Reactivity and Catalysis

University of St Andrews School of Chemistry

A PhD position is available in the group of Prof. Stuart Macgregor to work on the computational modelling of organometallic reactivity and catalysis. Read more

Supervisor: Prof S Macgregor

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

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Information and decision theory in biosensing and diagnostics

Nanyang Technological University School of Electrical and Electronic Engineering

Apply to pursue a PhD in the Optical Theory Group, led by Matthew Foreman, where you will explore information theoretic aspects of digital biomolecular assays and optimal diagnostic design. Read more

Supervisor: Prof M Foreman

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

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Fully Funded PhD opportunities in Physical Sciences

Gdańsk University of Technology

Physical Sciences are included in Doctoral School at Gdańsk University of Technology, Poland, which is regarded to be the first research university in Poland among universities of technology according to domestic rankings. Read more

Funded PhD Programme (Students Worldwide) 4 Year PhD Programme

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Personalising cancer treatment with tumour evolution modelling using AI-based genomics biomarkers and PK/PD

University of Liverpool Institute of Systems, Molecular and Integrative Biology

Tumour heterogeneity is a major problem limiting the efficacy of targeted oncological therapies. Most advanced tumours eventually become resistant to the treatments, ultimately making the patient succumb to metastatic disease. Read more

Supervisor: Dr T You

1 August 2024 PhD Research Project Self-Funded PhD Students Only

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Ageing Assessment of Transformer Insulation Systems through Molecular Dynamic Simulation

The University of Manchester Department of Electronic and Electrical Engineering

The accurate assessment of the remaining lifetime of transformer insulation systems has always been a challenge faced by the transformer industry. Read more

Supervisors: Prof Z.D Wang, Dr S Matharage

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

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Network-based predictive modelling of cardiovascular disease risk

University of Liverpool Institute of Systems, Molecular and Integrative Biology

The risk of cardiovascular disease (CVD) is orchestrated by multiple factors. QRISK models (currently QRISK3) have been used in the UK to estimate CVD risk within the next 10 years for individuals without CVD. Read more

Supervisor: Dr T You

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

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We have 114 molecular modelling PhD Projects, Programmes & Scholarships

molecular modelling PhD Projects, Programmes & Scholarships

We have 114 molecular modelling PhD Projects, Programmes & Scholarships

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