Computational Chemistry (system) PhD Projects, Programmes & Scholarships

We have 19 Computational Chemistry (system) PhD Projects, Programmes & Scholarships

IMPRESSION+GAMES - A Generative Machine Learning System to Elucidate Chemical Structures

Applications are invited for a studentship starting, ideally, on 16 September 2024, to be supervised by Professor Craig Butts (University of Bristol). Read more

Supervisor: Prof C Butts

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

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System design on co-production of transport fuel and value-added chemicals from waste biomass

University of Strathclyde Department of Chemical and Process Engineering

There is a national and global imperative to reduce reliance upon fossil fuels and, at the same time, to improve the efficiency of natural and renewable resource utilisation. Read more

Supervisor: Dr X Zhang

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

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(University of Manchester - University of Tokyo Dual Award) Diversifying Antitumor Drugs through the Integration of Synthetic Biology and Chemo-enzymatic Approaches

The University of Manchester Department of Chemistry

Ecteinascidin 743 (ET-743, Trabectedin) is a marine-derived natural organic compound approved for the treatment of soft tissue sarcomas. Read more

Supervisors: Prof E Takano, Prof H Oguri

29 April 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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Last chance to apply

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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Antimatter Chemistry: computational studies of matter-antimatter interactions

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 M Law, Dr W T A Harrison

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

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Expanding the capabilities of the Molecular Simulation Design Framework (MoSDeF)

Heriot-Watt University School of Engineering & Physical Sciences

The Molecular Simulation Design Framework (MoSDeF, mosdef.org) is an open-source, extensible Python-based software package designed to facilitate the hierarchical… Read more

Supervisors: Prof PT Cummings, Prof C McGabe

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

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Thermo-electric materials for tab cooling of advanced batteries

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team. Prof Richard Wills, Dr Iris Nandhakumar. Project description. Effective thermal management of lithium-based battery systems is important for optimising cell efficiency, reducing cell degradation and preventing catastrophic failure. Read more

Supervisor: Dr R Wills

31 August 2024 PhD Research Project Competition 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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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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Soft & Crystalline Composite Materials: Developing Total Scattering Workflows for the Interrogation of Structure.

University of Birmingham School of Chemistry

An exciting interdisciplinary project for an enthusiastic student to develop a broad range of expertise, combining the experimental and computationally-based characterisation of advanced composite materials. Read more

Supervisor: Dr T Easun

30 May 2024 PhD Research Project Funded PhD Project (European/UK Students Only)

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Deploying safer robot chemists in real laboratory environments

University of Liverpool School of Electrical Engineering, Electronics and Computer Science

Robotic chemists [1] are a totally new and disruptive development in human-centric labs, and these systems are already beginning to carry out complex experiments that require skills beyond sample transportation (e.g., sample weighing [2] and scraping samples from vials [3]. Read more

Supervisor: Dr G Pizzuto

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

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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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Designing Structured Surfaces with Superwettability Properties

University of Edinburgh School of Engineering

The wetting behaviours of liquids on solid surfaces play an important role for a wide range of engineering applications, including coatings, electronics, oil recovery, microfluidics, and inkjet printing. Read more

Supervisors: Prof HK Kusumaatmaja, Prof G McHale

16 January 2025 PhD Research Project Self-Funded PhD Students Only

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Enabling CO2 Capture and Storage Using AI

Heriot-Watt University School of Engineering & Physical Sciences

Carbon Capture and Storage (CCS) is one of the viable solutions that can effectively reduce CO. 2. emissions from hard to decarbonise industries (e.g., steel, cement, power generation). Read more

Supervisors: Prof PT Cummings, Prof C McGabe

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

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We have 19 Computational Chemistry (system) PhD Projects, Programmes & Scholarships

Computational Chemistry (system) PhD Projects, Programmes & Scholarships

We have 19 Computational Chemistry (system) PhD Projects, Programmes & Scholarships

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