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Chemistry with Molecular Modelling

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 affects 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.

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 combining a chemistry degree with modelling of the structure and reactivity of molecules and solids including:

  • Simulation of the structure and properties of materials, including organic molecules, semiconductors, catalysts, DNA and proteins
  • Modelling how electrons are arranged in materials and how they interact during chemical reactions
  • Computational medicinal chemistry and drug design

A general description of Chemistry with Molecular Modelling is available here.

Course details

In the Freshman years, Chemistry with Molecular Modelling students are taught primarily with the Science students.

In both years, the regular Freshman Chemistry, Mathematics and Physics or Biology courses are taken along with specialist Computational Tutorials (1 hour per week) and Practicals (6 sessions per year).

Junior Freshman Senior Freshman
Chemistry, Mathematics and Physics or Biology Chemistry, Mathematics and Physics or Biology (BY2201, BY2203, BY2205 and BY2208)

Junior Sophister

In the JS year, Chemistry with Molecular Modelling students take two-thirds of the regular Chemistry lectures, with the remaining one-third comprising specialist lectures in Molecular Modelling (methods and applications to materials and medicinal chemistry). In addition, 50% of the regular chemistry practical assignments are replaced with specialist Molecular-Modelling practicals.

Senior Sophister

In the SS year, Chemistry with Molecular Modelling students take 50% of the core and option Chemistry lectures, with the remaining 50% being specialist lectures in Molecular Modelling. A combination of computational-chemistry practicals and a project assignment is undertaken during the Michaelmas term.

For further details contact:

Prof. Graeme Watson
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 4 December 2013 by School of Chemistry (Email).