Computational Chemistry (selection) PhD Projects, Programmes & Scholarships

We have 10 Computational Chemistry (selection) PhD Projects, Programmes & Scholarships

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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Quantum algorithm development for correlated electrons

King’s College London Department of Physics

Project Description . Applicants are invited to apply for a PhD project in the development of quantum computing algorithms for correlated electrons. Read more

Supervisors: Dr G Booth, Dr J Bhaseen

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

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Programming Colloidal Self-Assembly for Advanced Materials

University of Birmingham School of Chemistry

A PhD place is available with Dr Dwaipayan Chakrabarti in the School of Chemistry at the University of Birmingham on a project themed on designing and developing colloidal advanced materials, using high-performance computing, underpinned by theories of statistical mechanics and wave propagation in periodic structures. Read more

Supervisor: Dr D Chakrabarti

Year round applications PhD Research Project Competition 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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EPSRC Doctoral Training Partnership 2024/25: Chemistry

University of Leeds Faculty of Engineering and Physical Sciences

Research Group: School of Chemistry

Becoming an innovator in the School of Chemistry at the University of Leeds!. For 2024/25 entry, we are offering you the opportunity to join our thriving community of leading researchers within the School of Chemistry. Read more

Supervisor: Ms L Moyles

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

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(University of Manchester - University of Tokyo Dual Award) Light- and Pressure-Controllable Magnets

The University of Manchester Department of Chemistry

This project tackles the complex interplay between light, pressure and magnetism, which lies at the heart of modern materials science, through the exploration of light- and pressure-responsive molecular magnets. Read more

Supervisors: Dr J Skelton, Prof S Ohkoshi

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

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Rational Control of Crystal Morphology

University of Bradford Faculty of Life Sciences

Research Group: Chemistry and Biosciences

The external shape of crystalline particles (called morphology) is of paramount importance in a wide range of applications, in particular pharmaceuticals and pigments. Read more

Supervisor: Dr C Seaton

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

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Design and study of modified peptide foldamers

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 L Trembleau, Dr H Deng

Year round applications 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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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 10 Computational Chemistry (selection) PhD Projects, Programmes & Scholarships

Computational Chemistry (selection) PhD Projects, Programmes & Scholarships

We have 10 Computational Chemistry (selection) PhD Projects, Programmes & Scholarships

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