Computational Chemistry (investigation) PhD Projects, Programmes & Scholarships

We have 7 Computational Chemistry (investigation) PhD Projects, Programmes & Scholarships

Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team. Chris-Kriton Skylaris (80%) Jeremy Frey (20%). Project Description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more

Supervisor: Prof C K Skylaris

31 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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Operando Photoelectrochemical-X-Ray-Spectroscopies-Led Rational Discovery of New Pyrochlore Oxides for Water Electrolysis (DIA24/EE/MPEE/TIWARI)

Northumbria University Faculty of Engineering and Environment

The Scientific Premise. Amid escalating climate changes linked to global warming, the quest to efficiently convert solar energy into chemical fuel has never been more critical. Read more

Supervisor: Dr D Tiwari

7 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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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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Computational simulation of nanomedicine for coronary microvascular disease

Coventry University Centre for Intelligent Healthcare

This is a four year collaborative studentship which requires the candidate to spend two full years based at Coventry University (UK) and two years based at A*STAR Research Institute (Singapore). Read more

Supervisor: Dr H Liu

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

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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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Pushing the scale boundaries for degradation simulations of industrially relevant materials

University of Southampton Chemistry

Supervisory Team: Chris-Kriton Skylaris. Project description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more

Supervisor: Prof C K Skylaris

1 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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PhD in Chemistry: Enhancing organic room-temperature phosphorescence through supramolecular approaches

Cardiff University Cardiff School of Chemistry

Dr Yi-Lin Wu - People - Cardiff University is looking for a PhD student to work on the research project “Enhancing organic room-temperature phosphorescence through supramolecular approaches.” The project involves the design and synthesis of triplet-forming organic chromophores and the investigation of their photophysical properties induced by supramolecular interactions. Read more

Supervisor: Dr Y Wu

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

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We have 7 Computational Chemistry (investigation) PhD Projects, Programmes & Scholarships

Computational Chemistry (investigation) PhD Projects, Programmes & Scholarships

We have 7 Computational Chemistry (investigation) PhD Projects, Programmes & Scholarships

Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

Operando Photoelectrochemical-X-Ray-Spectroscopies-Led Rational Discovery of New Pyrochlore Oxides for Water Electrolysis (DIA24/EE/MPEE/TIWARI)

Development of bespoke algorithms for autonomous optimisation in flow

Computational simulation of nanomedicine for coronary microvascular disease

Design and study of modified peptide foldamers

Pushing the scale boundaries for degradation simulations of industrially relevant materials

PhD in Chemistry: Enhancing organic room-temperature phosphorescence through supramolecular approaches

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