Chemistry with molecular modelling
- Course Type: Undergraduate
- Course Code: TR074
- No. of Places: 5
- Min Entry Points 2012: 490 points
- Duration: 4 Year(s) Full Time
- Award: B.A.
- Specific Entry Requirements: See requirements
- Course Options:
- How to apply: See how to apply
ApplyTo apply to this course, click on the relevant Apply Link below
- Chemistry with Molecular Modelling, 4 Year(s) Full Time, Closing Date: 08/FEB/2013
Mature Student - Supplementary Application FormRead the information about how to apply as a mature student, then select the link below to complete the TCD Supplementary Application Form for mature students.
- Chemistry with Molecular Modelling, Closing Date: 01/JUN/2013
Advanced Entry ApplicationsRead the information about how to apply for Advanced Entry, then select the link below to apply.
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. This course focuses 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, catalysts etc.
- The modelling of how electrons are arranged in materials and behave during chemical reactions
- Modelling organic and bio-organic molecules including DNA, proteins, drug molecules and computational drug design
- The theory behind the modelling approaches
Is this the right course for you?
The programme will suit you well if you would like to obtain a chemistry degree but are also interested in learning to use molecular modelling to understand and solve chemical problems in a range of areas such as drug design and materials chemistry.
The course is based on the Chemistry degree. Core components of the Chemistry degree are taken along with special molecular modelling courses, practical work and project work.
The Freshman years
You will study the same foundation courses in chemistry and mathematics and one of biology or physics as students in the science course - TR071. However, some of the experimental chemistry laboratory class time is spent in computer laboratories. Special lectures are given to introduce the concepts of molecular modelling and to highlight applications.
There are approximately 19 hours of supervised study in lectures and tutorials and around 6 hours of laboratory time per week in the Freshman (first two) years.
The Sophister years
In the third and fourth years you will take core courses in chemistry with additional courses in molecular modelling including general molecular modelling, quantum mechanics, modelling protein structure, drug design, molecular dynamics, and modelling in solid-state materials chemistry.
In the Junior Sophister (third) year, about half of your laboratory class time is spent in computer laboratories performing computational experiments using molecular modelling.
As a Senior Sophister (fourth-year student) you will undertake a computational project, typically from late September to mid-December. This may be done in Trinity College or in an academic or research laboratory abroad.
You will be assessed by a combination of continuous assessment and end-of-year examinations.
The School of Chemistry has exchange agreements with a large number of other universities where students may carry out their final-year research projects. Centres where students have completed their research projects in recent years include Vienna, Berlin, Madrid, Toulouse and Utrecht in Europe and McGill and Duke universities in North America.
The degree is fundamentally chemistry-based and so the opportunities available to regular chemistry graduates remain open (see TR071 - Chemistry). In addition the specially developed computational skills make graduates an attractive prospect for employers both within computing environments and in other professions. Career opportunities range from teaching and research to working in the chemical and pharmaceutical industries, one of the largest and fastest growing sectors of the Irish economy. Chemists also fits comfortably into management and business. 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 services and meteorology.
Contact: Prof. Graeme Watson
Tel: +353 1 896 1357
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.
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.