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Chemistry with molecular modelling

B.A.; 5 places

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What is Chemistry with Molecular Modelling?

Chemistry with Molecular Modelling is a chemistry-based creative-science course that is used to develop everything from new materials such as superconductors for new batteries, to new drug molecules 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 and implementation of different approaches to modelling materials

Chemistry with Molecular Modelling: The 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.

Chemistry with Molecular Modelling @ 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 computer/IT skills and applying computer-modelling techniques to explore chemical problems.

Graduate skills and career opportunities

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 our graduates have taken in the past include careers in business and the 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..

Your degree and what you’ll study

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


You will study foundation courses in chemistry and mathematics and in either biology or physics.


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 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 covering 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 and internship opportunities

The School of Chemistry has exchange agreements with a large number of universities and research institutes where students may carry out their final-year research projects, in places such as Vienna, Berlin, Bologna, Toulouse, and Utrecht, North America and Australia. A limited number of places are also available in China. The areas of research are wide-ranging, including cancer chemotherapy and DNA chemistry, device fabrication and materials processing, homogeneous catalysis, supramolecular chemistry and computational chemistry. Between 3rd and 4th year, some students also take a year-long internship in a pharmaceutical company to enhance their knowledge of chemistry and their practical skills.


Contact: Prof. Graeme Watson


Tel: +353 1 896 1357

What our current students say

Andrew Bathe

“Since attending the Trinity Open Day I knew their degree in Chemistry with Molecular Modelling was for me. Not only does no other college in Ireland offer a direct route to the field of computational chemistry but Trinity is unmatched in terms of reputation and the resources it has available. The degree itself, which combines general chemistry with modelling and simulation techniques, has allowed me to develop a vast array of skills in both a traditional lab environment and at the computer! So now in the final year of my degree I feel confident that the skills I have learned will have me well prepared in my future academic or professional career.”

Course Options



Number of Places



Students who wish to study Chemistry with Molecular Modelling apply to the Chemical Sciences Stream (TR061) and may select Chemistry with Molecular Modelling as their specialist area for the 3rd and 4th years at the end of the second year.

Admission Requirements

For general admission requirements please click here



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

EU Applicants

Read the information about how to apply, then apply directly to CAO.

Non-EU Applicants

Advanced Entry Applications

Read the information about how to apply for Advanced Entry, then select the link below to apply.


Students who wish to study Chemistry with Molecular Modelling apply to the Chemical Sciences Stream (TR061) and may select Chemistry with Molecular Modelling as their specialist area for the 3rd and 4th years at the end of the second year.