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Engineering, Mathematics and Science
160
Chemistry with
molecular modelling
COURSE CODES:
PLACES 2012:
POINTS 2011:
DEGREE AWARDED:
TR074
5
430
B.A.
Special Entry Requirements:
Leaving Certificate
HC3
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
See also:
TR071: Chemistry, page 145
TR075: Medicinal chemistry, page 165
TR076: Nanoscience, physics and chemistry of advanced
materials, page 167
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:
n
The simulation of the structure and properties of materials
and nano-materials including oxides, semiconductors,
catalysts etc.
n
The modelling of how electrons are arranged in materials
and behave during chemical reactions
n
Modelling organic and bio-organic molecules including DNA,
proteins, drug molecules and computational drug design
n
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.
Course overview
The course is based on the Chemistry degree (see page 145).
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 (see page 140). 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.
Assessment
You will be assessed by a combination of continuous
assessment and end-of-year examinations.
Study abroad
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.
Career opportunities
The degree is fundamentally chemistry-based and so the
opportunities available to regular chemistry graduates remain
open (see TR071 – Chemistry page 145). 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.