Computational Chemistry (optimisation) PhD Projects, Programmes & Scholarships

We have 8 Computational Chemistry (optimisation) PhD Projects, Programmes & Scholarships

Development of bespoke algorithms for autonomous optimisation in flow

University of Liverpool Department of Chemistry

A key challenge in materials science is how to efficiently and sustainably arrive at the optimal conditions for material production. Read more

Supervisor: Dr A Slater

30 June 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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Novel materials-modelling strategies to guide experimental design and optimisation of high-entropy alloys

The University of Manchester Department of Chemistry

High-entropy alloys (HEAs) are a new class of crystalline materials incorporating five or more components distributed homogenously over atomic sites. Read more

Supervisors: Dr J Skelton, Dr D Lewis

31 July 2024 PhD Research Project Self-Funded PhD Students Only

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Synergistic Experimental and Data-driven Catalyst Development for Sustainable Synthesis

University of Edinburgh School of Chemistry

The Thomas Group in collaboration with GSK and Dr Ephrath Solel Moroshko are now recruiting a motivated PhD student to develop a new method for the discovery and application of sustainable catalysis. Read more

Supervisors: Prof S Thomas, Dr E Solel Moroshko

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

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Computational exploration of substrates and interfaces for thin film solar cells

University of Liverpool Department of Chemistry

To address the challenge of net-zero carbon a diverse energy generation landscape is required of which photovoltaics (PV) is a major constituent. Read more

Supervisors: Dr M Dyer, Dr T Manning

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

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PhD in Chemistry: Asymmetric catalysis using environmentally benign calcium complexes

Cardiff University Cardiff School of Chemistry

Dr Ben Ward http://www.cardiff.ac.uk/people/view/38527-ward-benjamin is looking for a PhD student to work on the research project ’Asymmetric catalysis using environmentally benign calcium complexes’. Read more

Supervisor: Dr B Ward

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

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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

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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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We have 8 Computational Chemistry (optimisation) PhD Projects, Programmes & Scholarships

Computational Chemistry (optimisation) PhD Projects, Programmes & Scholarships

We have 8 Computational Chemistry (optimisation) PhD Projects, Programmes & Scholarships

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