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Chemistry with Molecular Modelling (TR074)

What is Chemistry ?

Chemistry is the study of the composition, structure and reactivity of the matter in the world i.e., what we eat and breathe and everything that we see around us. Chemistry effects how we live and as Chemists we study not just the composition and manufacture of materials but their design and behaviour and the reasons for them.

What is Molecular Modelling?

Molecular modelling is the use of computer modelling to understand and explore chemistry. Advancements in molecular modelling have lead to an explosive growth in a range of applications. Our course focuses on modelling of the structure and reactivity of molecules and solids including:

  • The simulation of the structure and properties of materials including organic molecules, semiconductors, catalysts, DNA, proteins.
  • The modelling of how electrons are arranged in materials (see figure on the right) and interact during chemical reactions.
  • Computational medicinal chemistry and drug design (see figure below).
computational chemistry images

Illustration showing some examples of modelling atoms and electrons. From left to right, the electron distribution in SnO, a DNA base pair, interaction of a drug with its target enzyme, structure of a high temperature superconductor and a multi-crystalline thin film for catalysis.

Who should apply?

This degree is primarily a chemistry degree and is intended for students who want to obtain a chemistry degree but who are also interested in learning how computers can be used to understand and investigate problems chemistry related problems.

The entry requirements are:
  • Higher level grade C in Mathematics and
  • High level grade C in one of Chemistry, Biology, Physics or Chemistry / Physics.

What does taking Chemistry with Molecular Modelling mean?

In the 1st and 2nd years students take (Chemistry / Mathematics / Biology) or (Chemistry / Mathematics / Physics), with some additional coursework designed to provide an introduction to the concepts of molecular modelling.

In the 3rd and 4th years core chemistry courses are taken along with specialised computational classes in the areas such as modelling methodology with applications to bio-molecular and materials modelling. In the final year there are a number of optional course and a computational research project is undertaken. The department is a very active participant in European (SOCRATES) and transatlantic exchange programmes (TASSEP) which allow students to complete their project abroad.

What careers are open to graduates?

The degree is still fundamentally chemistry based and so the opportunities available to regular chemistry graduates remain open. In addition the specially developed computational skills make graduates an attractive prospect for employers both within scientific computing and in other professions. Career opportunities are therefore varied ranging from teaching and research to working in the chemical and pharmaceutical industries, which is one of the largest and fastest growing sectors of the Irish economy. Their training also enables Chemists to fit comfortably into management and business and almost every other area of endeavour in modern industry and commerce. Examples of industries where people are employed directly in scientific computing include: pharmaceutical (computational drug design), chemical (developing catalysts), materials chemistry (semi-conductors / magnetic materials), financial and meteorology.

For further details contact:

Prof. Graeme W. Watson
School of Chemistry
Trinity College
Dublin 2
Tel. +353-1-896-1357

TCD Sponsors

This course is funded by the Irish government under the National Development Plan 2007-2013 and aided by the European Social Fund (ESF) under the Human Capital Investment Operational Programme 2007-2013.


Last updated 24 August 2016 by School of Chemistry (Email).