Overview
Key Facts
The Theoretical and Computational Chemistry research group from Cardiff University , 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, the simulation of drug-receptor binding problems, simulation of phase transformations and reactions in solid, mass and charge transport, and structure and property prediction.
Students in this field can expect to gain a deep understanding of the fundamental physical processes that lie at the heart of all chemical phenomena. In addition, skills such as computer programming, use of high-performance computing resources, mathematics and numerical analysis feature strongly.
Career prospects
Graduates from theoretical and computational chemistry have gone on to employment in a wide range of academic and industrial locations. Many continue in research via post-doctoral research fellowships, while others develop and test chemical software. Transferable skills in maths and computing also make graduates from this field competitive in non-chemical employment sectors.
Get more details
Visit programme websiteProgramme Structure
Research areas:
- Methodological research includes computational methods for electron correlation, electron density analysis, QSAR, analysis of XRD data, advanced methods of molecular dynamics simulation and importance sampling, thermal and electronic transport calculations, correlated and many-body methods applied to the solid state.
- There is also a strong interest in software development through the Molpro and other codes, and in the effective exploitation of high-performance massively parallel computers. The group is supported by excellent computing infrastructure, including the University Advanced Research Computing facility.
Check out the full curriculum
Visit programme websiteKey information
Duration
- Full-time
- 36 months
Start dates & application deadlines
- StartingApplication deadline not specified.
- StartingApplication deadline not specified.
- StartingApplication deadline not specified.
- StartingApplication deadline not specified.
Language
Interested in IELTS preparation material? Get started here
Delivered
Disciplines
Chemistry Computer Sciences View 97 other PhDs in Computer Sciences in United KingdomExplore more key information
Visit programme websiteAcademic requirements
English requirements
Interested in IELTS preparation material? Get started here
Student insurance
Make sure to cover your health, travel, and stay while studying abroad. Even global coverages can miss important items, so make sure your student insurance ticks all the following:
- Additional medical costs (i.e. dental)
- Repatriation, if something happens to you or your family
- Liability
- Home contents and baggage
- Accidents
- Legal aid
We partnered with Aon to provide you with the best affordable student insurance, for a carefree experience away from home.
Get your student insurance nowStarting from €0.53/day, free cancellation any time.
Remember, countries and universities may have specific insurance requirements. To learn more about how student insurance work at Cardiff University and/or in United Kingdom, please visit Student Insurance Portal.
Other requirements
General requirements
- Applicants are required to have a BSc 2.2 or above, or equivalent, in Chemistry or in a related subject.
Make sure you meet all requirements
Visit programme websiteTuition Fee
-
International
24450 GBP/yearTuition FeeBased on the tuition of 24450 GBP per year during 36 months. -
National
4712 GBP/yearTuition FeeBased on the tuition of 4712 GBP per year during 36 months.
Living costs for Cardiff
The living costs include the total expenses per month, covering accommodation, public transportation, utilities (electricity, internet), books and groceries.
Funding
Check for any work restrictions
Visit programme websiteIn order for us to give you accurate scholarship information, we ask that you please confirm a few details and create an account with us.
Scholarships Information
Below you will find PhD's scholarship opportunities for Theoretical and Computational Chemistry.
Available Scholarships
You are eligible to apply for these scholarships but a selection process will still be applied by the provider.
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility
Read more about eligibility