Trinity College Dublin

Skip to main content.

Top Level TCD Links


Chemistry with molecular modelling

Admission Requirements

For Admission requirements please click here


To apply to this course, click on the relevant Apply Link below

What is Molecular modelling?

Chemistry with Molecular Modelling is a chemistry based course (see TR071 Chemistry, page 149) which is a creative science that is used to develop everything from new materials such as superconductors for new batteries, to a new drug molecule for the pharmaceutical industry. Without it, many modern science disciplines such as materials science, molecular biology and environmental science would not be possible. Chemistry with Molecular Modelling embeds computer modelling techniques and how they can be applied to understand and explore chemistry. Advancements in molecular modelling have led to an explosive growth in a range of applications. The modelling aspects of this course focus on modelling the structure and reactivity of molecules and solids including:

  • The simulation of the structure and properties of materials and nano-materials, including oxides, semiconductors and catalysts
  • The modelling of how electrons are arranged in materials and how they behave during chemical reactions
  • Modelling organic and bio-organic molecules, including DNA, proteins, drug molecules and computational drug design
  • The theory implementation of different approaches to modelling materials

Is this the right course for you?

The course will suit you well if you have an interest in science and chemistry in particular, have a logical and inquisitive mind and want to work in industry or research after university.

Why study Chemistry with Molecular Modelling at Trinity?

This degree is designed to train our students with the creative talent and skills required for research and industry. The course provides a broad base in organic, inorganic and physical chemistry so that our graduates have a wide selection of career prospects. This degree also provides students with the unique opportunity to study the fundamentals of modern chemistry, whilst developing skills in applying computer modelling techniques to the exploration of chemical problems.

The School of Chemistry at Trinity has a small but dedicated staff applied to both teaching and research. This has allowed the School to build a nationally leading and internationally competitive research programme, including involvement in TBSI (biomedical science) and CRANN (materials and nanoscience). This has led to the School of Chemistry at Trinity having the highest international ranking of any chemistry school in Ireland (QS World University Rankings by Subject 2015).

What will you study?

The course is based on the Chemistry degree with core components of chemistry (inorganic, organic and physical) taken along with special molecular modelling modules, practical work and project work. You will be assessed by a combination of continuous assessment and end-of-year examinations.


You will study the same foundation courses in chemistry and mathematics and one of biology or as students in the Science course – TR071 (see page 146). This includes a series of lectures on molecular modelling and a number of computational based laboratories. Special lectures are given to introduce the concepts of molecular modelling and to highlight applications.


In the third and fourth years you will take core modules in chemistry with additional modules in molecular modelling to include general molecular modelling, quantum mechanics, optimisation, modelling protein structure, drug design, molecular dynamics, and modelling in solid-state materials chemistry.

Lectures are complemented by laboratory experimental classes where you will gain experience in more sophisticated preparative chemical techniques and spectroscopic analysis. About one third of your laboratory class time will be spent in computer laboratories performing computational experiments using molecular modelling.

As a fourth-year student you will undertake a research project, typically from September to December. This may be done in Trinity or in an academic or research laboratory abroad. This is complemented by lectures in core fundamental material in organic, inorganic and physical chemistry. In addition, an extensive range of optional courses are also offered that allow each student to develop her/his own particular interests.

If you would like more detailed information on all the modules offered, please visit:

Study abroad

The School of Chemistry has exchange agreements with a large number of other universities and research institutions where students may carry out their final-year research projects. Centres where students have completed their research projects include Vienna, Berlin, Bologna, Toulouse, and Utrecht in Europe, as well as many others in North America, China and Australia.


A chemistry degree combines specialist practical training with analytical, problem-solving and presentation skills and is excellent preparation for graduates considering a diverse range of career paths. Our graduates can pursue postgraduate degrees either in the School of Chemistry or in other world-class research institutions. Trinity’s chemistry graduates are highly sought after by the chemical and pharmaceutical industries, which contribute some 20% to Ireland’s exports.

Former graduates of Trinity Chemistry are working in companies such as Henkel, Pfizer, Glaxo-Smith-Kline and Bristol Meyers Squib. Patent offices, government advisory and information services, libraries, public analytical laboratories, schools and third-level institutions also employ our chemists.

Other successful routes graduates have taken in the past include careers in business and financial services sectors and in management. In addition, the specially developed computational skills make graduates an attractive prospect for employers both within computing environments and in other professions. Examples of industries where people are employed directly in scientific computing/modelling include: pharmaceutical (computational drug design), chemical (developing catalysts), materials chemistry (semi-conductors/magnetic materials), financial services and meteorology.

Further information

Contact: Prof. Graeme Watson

Email: | Tel: +353 1 896 1357

Specific Entry Requirements

Leaving CertificateHC3 Mathematics
HC3 In one of: physics, chemistry, physics/chemistry or biology
Advanced GCE (A-Level)Grade C Mathematics
Grade C In one of: physics, chemistry, or biology
Other EU examination systemsSee

 Graduate profile

Dr. Aron Walsh

Ph.D., School of Chemistry, Trinity College Dublin

Currently: Marie Curie Research Fellow, University College London

I chose this course out of my childhood love for chemistry sets and Nintendo, and didn't really know what to expect. The degree allowed me to develop skills in chemistry, physics, mathematics and computer science, but it was not until a final year research project, that I realised the power (and fun) of computer modelling of chemical systems. This experience drove me to accept a Ph.D. position in the group of Professor Graeme Watson, and I spent three years studying the electronic structure properties of post-transition metal oxides. During this time, I had the opportunity to use some of the largest supercomputers in the world, publish research papers based on my simulations, and most excitingly, to see an experimental group from Oxford University verify my predictions! After graduating, I moved to Denver, Colorado to work for the U.S. Department of Energy on the development of new materials for converting sunlight into electricity. In 2009, I was awarded a research fellowship from the European Union to move to University College London, and continue my research on energy materials and processes. I have had the opportunity to present my research around the globe, everywhere from Hawaii to Seoul, and I currently hold a visiting fellowship to Fudan University, Shanghai. The goals of science are universal, and pursuing a career in science has allowed me to experience a world I never knew existed.