Synthetic Chemistry (prediction) PhD Projects, Programmes & Scholarships

We have 7 Synthetic Chemistry (prediction) PhD Projects, Programmes & Scholarships

Drug metabolism - prediction, detection, and isolation

University of Birmingham School of Pharmacy

Electrosynthesis (ES) is a green methodology for preparing and interpreting drug metabolites linked to toxicology. ES describes the synthesis of chemical compounds in an electrochemical cell. Read more

Supervisor: Dr M Jones

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

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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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Data-driven realisation of molecular editing for drug discovery

University of Leeds Faculty of Engineering and Physical Sciences

Drug discovery pipelines are driven by iterative cycles in which molecules are designed, synthesised, purified and tested. A remarkably limited toolkit… Read more

Supervisors: Prof A Nelson, Prof S Marsden

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

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Experimental Discovery of New Ionic Conducting Materials Towards Net-Zero Technologies

University of Liverpool Department of Chemistry

Materials that allow the rapid motion of ions are essential for the new energy technologies needed to meet the challenge of net zero, such as batteries, fuel cells and electrolysers for green hydrogen. Read more

Supervisors: Prof M J Rosseinsky, Dr J Claridge

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

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Experimental discovery of new Inorganic Materials for Net Zero Technologies

University of Liverpool Institute of Life Course and Medical Sciences

The experimental discovery of new inorganic materials shows us how crystal structure and chemical composition control physical and chemical properties. Read more

Supervisors: Prof M J Rosseinsky, Dr LD Daniels, Dr J Claridge

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

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Accelerating energy landscape exploration through optimisation, approximation and parallelisation

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

Many heuristic methods (random walks, probabilistic selection, genetic algorithms) for energy landscape exploration in Crystal Structure Prediction (CSP) [1] are very important material discovery tools [2]. Read more

Supervisor: Prof I Potapov

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

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Computationally driving automated functional materials discovery for net zero technologies with machine reasoning and decision-making

University of Liverpool Department of Chemistry

This project, suited to a student with a Computer Science or Mathematics background, will formally define the nature and consequences of the decisions that need to be made in the automated workflow and identify both the optimal combination of existing methods and tools to accelerate discovery and the gaps in capability that currently exist. Read more

Supervisors: Prof RIJ Ibsen-Jensen, Prof M J Rosseinsky

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

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We have 7 Synthetic Chemistry (prediction) PhD Projects, Programmes & Scholarships

Synthetic Chemistry (prediction) PhD Projects, Programmes & Scholarships

We have 7 Synthetic Chemistry (prediction) PhD Projects, Programmes & Scholarships

Drug metabolism - prediction, detection, and isolation

(MRC DTP CASE) Prediction of substrate binding geometry and strength in promiscuous enzymes: computational chemistry applicable to the design of pharmaceuticals and agrochemicals

Data-driven realisation of molecular editing for drug discovery

Experimental Discovery of New Ionic Conducting Materials Towards Net-Zero Technologies

Experimental discovery of new Inorganic Materials for Net Zero Technologies

Accelerating energy landscape exploration through optimisation, approximation and parallelisation

Computationally driving automated functional materials discovery for net zero technologies with machine reasoning and decision-making

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