Theoretical and Computational Chemistry
Entry requirements
Applicants are required to have a BSc 2.2 or above, or equivalent, in Chemistry or in a related subject.
Months of entry
January, April, July, October
Course content
This team encompasses several research groups that specialise in theory and computation, including developing and applying modelling methods.
Application areas include
simulation of catalytic materials and mechanisms
sustainable chemistry, including CO2 mitigation, biomass conversion and H2 production
structure and function of biomolecules
simulation of drug-receptor binding problems
simulation of materials for energy storage and conversion
reactions in solid, mass and charge transport
structure and property prediction
method development for enhanced dynamic simulations
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 coding, high-performance computing, data science, mathematics and numerical analysis feature strongly.
All groups in this area work closely with experimental colleagues both here in Cardiff and elsewhere. Much work in this field is sponsored by industry, including BP, Johnson Matthey and NIC3E.
Qualification, course duration and attendance options
- PhD
- full time36 months
- Campus-based learningis available for this qualification
- MPhil
- full time12 months
- Campus-based learningis available for this qualification
This course can also be studied on a part-time basis.
Course contact details
- Name
- Administrative Contact
- chemistry-pgr@cardiff.ac.uk
- Phone
- +44(0)29 2087 0302