Key Information
Duration
- Full-time
- 36 months
Start dates & application deadlines
- Starting January 2027 - Apply before Oct 2026
- Starting April 2027 - Apply before Jan 2027
- Starting July 2027 - Apply before Apr 2027
- Starting October 2027 - Apply before Jul 2027
Language
English
English requirements
- TOEFL iBT: 90
- PTE Academic: 69
- IELTS: 6.5
Delivered
On Campus
Campus Location
Cardiff, United Kingdom
Disciplines
Chemistry, Computer Sciences
Overview
The Theoretical and Computational Chemistry research group delivered at Cardiff University encompasses a wide range of pure and applied problems, from development of new methods for the prediction of chemical properties to simulation of the structure, dynamics and reactivity of molecules and materials.
Key Facts
- Specific areas of current interest include the computational design of new molecules and materials for use in catalysis and sustainable energy, medicines, diagnostics, simulation of the dynamic behaviour of reactions, surfaces, solids and biomolecules, and detailed analysis of chemical bonding in organic and inorganic molecules.
- Current examples of research include the design of new alloys for capture and utilisation of CO2, simulation of the role of metals in neurodegenerative diseases such as Alzheimer’s and electronic structure of superconductors. Much of this work is carried out in collaboration with experimental work, both at Cardiff University and across the world.
- There is also a strong interest in software development and the effective exploitation of high-performance massively parallel computers. The group is supported by excellent computing infrastructure, including the University Advanced Research Computing Facility (ARCCA), Supercomputing Wales (SCW) and national facilities such as ARCHER2.
Visit the programme website for more information
Programme Structure
Specific areas of current interest include:
- the computational design of new molecules and materials for use in catalysis and sustainable energy
- medicines
- diagnostics
- simulation of the dynamic behaviour of reactions
- surfaces
- solids and biomolecules
- detailed analysis of chemical bonding in organic and inorganic molecules
Admission Requirements
Academic requirements
GPA: Lower Second Class
English requirements
- TOEFL iBT: 90
- PTE Academic: 69
- IELTS: 6.5
Other requirements
General requirements
- Applicants are required to have a BSc 2.2 or above, or equivalent, in Chemistry or in a related subject.
Tuition Fees
Tuition fees are shown in AUD and the most likely applicable fee is shown based on your nationality.
- International: 50,857 AUD / year (≈ 26,700 GBP / year)
- Domestic: 9,535 AUD / year (≈ 5,006 GBP / year)
Additional Details
- Part-time tuition fees: £2,503
Living Costs
Cardiff, United Kingdom
1,196-2,030 AUD / month
The living costs include the total expenses per month, covering accommodation, public transportation, utilities (electricity, internet), books and groceries.

