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Theoretical and Computational Chemistry – (Ph.D.)
Cardiff University
Cardiff School of Chemistry| Annual Tuition Fee: | ≈ € 4,340 - ≈ € 15,985 (non-EEA) | ||
| Location: | Cardiff / United Kingdom / View location on map ▾ Hide location on map ▴ | ||
| Duration: | 36 months | Start Date: | January, April, July, October |
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| Languages: | English | ||
Location of Cardiff University
This research group consists of four members of academic staff specialising in theory and computation, together with further colleagues applying modelling methods.
Application areas include adsorption and reactivity of oxide and metallic surfaces, and in microporous materials, mechanistic studies of organic reactions, structure and function of bio-molecules, proton exchange and transport in solutions, and the simulation of drug-receptor binding problems.
Methodological research includes computational methods for electron correlation, quantum Monte-Carlo methods, electron density analysis, QSAR, and analysis of XRD data. There is also a strong interest in software development through the Molpro and other codes, and in the effective exploitation of high-performance computers. The group is supported by excellent computing infrastructure, including the recently established Advanced Research Computing facility.
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Requirements
Suitable for graduates with a good honours degree or equivalent in chemistry or a related subject. Applicants whose first languare is not English will be required to pass IELTS (6.5)/TOEFL exams.
Note: International students pursuing part-time programmes of study are not eligible for Tier 4 General Student) visas and must have alternative leave to remain in the UK if they intend to study at the University in person.
Additional Requirements
| Minimal degree required: | Master's degree |
| Minimal amount of work experience | Not specified |
Language Proficiency
| IELTS Band: | 6.5 |
| TOEFL Paper-based: | 600 |
| TOEFL Computer-based: | 250 |
Faculty
Special Features of the School:
- The School has undergone an extensive revitalisation in the last few years and occupies newly refurbished laboratories with excellent facilities for research and teaching.
- Chemistry continues to attract an expanding team of researchers, as well as maintaining an extensive network of industrial contacts.
- Strong interdisciplinary collaborations support projects across traditional subject divisions; postgraduates interact across these groups.
- Excellent high-performance computing facilities (http://www.cardiff.ac.uk/arcca/, http://www.hpcwales.co.uk) as well as use of national HPC facilities (www.hector.ac.uk, www.nsccs.ac.uk)
- Extensive collaborations internationally; a number of research programmes allow placements abroad, including in Europe, America and Australia.
Ask a Question
You can contact Professor T Wirth to ask a question about Theoretical and Computational Chemistry at Cardiff University.
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