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Ph.D. On Campus

Theoretical and Computational Chemistry

Cardiff University

36 months
Duration
Unknown
Tuition fee
Unknown
Unknown
Apply date
Unknown
Start date

About

The School of Chemistry from Cardiff University, has developed a particular strength in Theoretical and Computational Chemistry, with a research group dedicated to this exciting area of study. As part of the Chemistry (PhD/MPhil) programme, students can conduct their research within this group.

Overview

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.

Features

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.

Programme 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.

Key information

Duration

  • Full-time
    • 36 months

Start dates & application deadlines

Delivered

On Campus

Academic requirements

GPA admission requirements GPA
Lower Second Class

Other requirements

General requirements

  • Exam results (copies of original certificates or transcripts and English translations, if necessary, to prove you have the qualifications listed on your application form)
  • References: some programmes require one or two references (usually at least one from a recent lecturer or professor) – you can ask your referee to download and fill out our Referee report form or obtain a signed and dated reference on headed paper
  • Personal statement (some programmes require a specific personal statement, so check the entry requirements for your programme)
  • Research proposal (for research students who are not applying for listed projects)
  • English Language certificates (for applicants whose first language is not English) 
  • Applicants are required to have a BSc 2.2 or above, or equivalent, in Chemistry or in a related subject.

Tuition Fee

Tuition fees status is determined during the processing of applications, so we are unable to confirm this in advance or advise on fees status decisions.

Living costs for Cardiff

628 - 1066 GBP /month
Living costs

The living costs include the total expenses per month, covering accommodation, public transportation, utilities (electricity, internet), books and groceries.

Funding

Studyportals Tip: Students can search online for independent or external scholarships that can help fund their studies. Check the scholarships to see whether you are eligible to apply. Many scholarships are either merit-based or needs-based.

Our partners

Theoretical and Computational Chemistry
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Cardiff University

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