molecular modelling PhD Projects, Programmes & Scholarships

We have 75 molecular modelling PhD Projects, Programmes & Scholarships

Molecular Modelling and Simulation for Solid Adsorbents for Industrial Carbon Capture

University of Sheffield School of Chemical, Materials and 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 modelling and experimental Investigation of the oxygen reduction reaction in PEM fuel cells.

University of Sheffield School of Mechanical, Aerospace and Civil Engineering

Polymer Electrolyte Membrane (PEM) fuel cells are of great promise for future energy production systems, encompassing large scale down to portable power source applications, with the promise of high efficiency and minimal pollutant emission. Read more

Supervisors: Prof M Pourkashanian, Prof L Ma, Prof D Ingham, Dr K Hughes

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

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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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Combined multi-scale modelling and experimental studies of polymer nanocomposites used in subsea connectors – Industrial CASE Studentship

Heriot-Watt University School of Engineering & Physical Sciences

This PhD opportunity will be based at Heriot-Watt University, Edinburgh. Please contact Prof David Bucknall (David.bucknall@hw.ac.uk) for further details. Read more

Supervisors: Prof D G Bucknall, Prof C McCabe, Prof PT Cummings, Dr MJ Jeschke

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 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

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

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Competitive EPSRC funded PhD in Chemistry: Mechanistic investigation of chemical transformations in molecular solids: towards future energy applications

Cardiff University Cardiff School of Chemistry

Mechanistic investigation of chemical transformations in molecular solids. towards future energy applications. Cheap, clean, and sustainable energy is vital to improve global living standards without compromising our climate and environment. Read more

Supervisors: Dr A Logsdail, Prof K Harris

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

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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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Fully-funded PhD positions in bacterial experimental evolution and computational modelling at the University of Auckland, New Zealand

University of Auckland School of Biological Sciences

We are seeking applicants for two fully-funded PhD positions as part of an exciting research project in evolutionary biology in the School of Biological Sciences at the University of Auckland. Read more

Supervisors: Dr N Takeuchi, Prof AP Poole

8 September 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Optimizing CO2 Mineralization: From Particle Aggregation to Growth and Tailored Properties

Queen Mary University of London School of Physical and Chemical Sciences

CO. 2. mineralisation via aqueous carbonate formation can reuse captured CO. 2. to manufacture stable carbonates with a net negative carbon footprint, potentially mitigating or even replacing conventional infrastructure materials. Read more

Supervisor: Dr D Di Tommaso

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

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Design and synthesis of liquid crystal molecules exhibiting new nematic phases

Aberdeen University 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: Dr R Walker, Prof C T Imrie, Prof J M D Storey

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

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Development of chemical probes to study Phytophthora

University of Otago Department of Chemistry

Research project . We are seeking a highly motivated PhD candidate to undertake research developing chemical probes for Phytophthora, including Phytophthora agathidicida. Read more

Supervisor: Dr AJ Vernall

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

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The use of machine learning models to identify new non-nucleoside reverse transcriptase inhibitors targeting HIV-1

Newcastle University Faculty of Medical Sciences Graduate School

Recent developments in machine learning have stimulated interest in the application of this powerful technique to new areas of research, including drug discovery. Read more

Supervisor: Dr M Ashton

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

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Synthesis and design of heterogeneous catalysts for the petrochemical industry

University of Sheffield Department of Chemistry

The development of novel catalysts for selective oxidation reactions is an area of decisive importance for both industry and academia. Read more

Supervisor: Dr M Conte

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

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We have 75 molecular modelling PhD Projects, Programmes & Scholarships

molecular modelling PhD Projects, Programmes & Scholarships

We have 75 molecular modelling PhD Projects, Programmes & Scholarships

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