Page 13 - Periodic Issue 04

T
heoretical Chemistry

Made Easy, Through Golf

Tim Naginey and Dan Tracey from the DPhil training successful reaction.
programme in Theory and Modelling in Chemical Sciences, This proved to be a
explain how they increase understanding of their field of work. long process, with many
complications, but we
The inaugural (2014-15) cohort of the EPSRC Centre for
Doctoral Training in Theory and Modelling in Chemical succeeded in the end!
Sciences (TMCS) have worked hard in preparing an exciting For added interactivity,
new outreach activity aimed at a wider audience. Theoretical players used a Nintendo
and Computational Chemistry sometimes has a low profile Wii remote as a golf club
even among university students. It is difficult to explain our can see their putt on a
research and its usefulness to others, let alone children, so we big screen.
saw this as a worthwhile challenge to overcome! We took the game to the
Cheltenham Science Festival in June 2016, where we engaged
Beginning at a workshop on science outreach from colleagues with many people of all ages, with some or no understanding
at the University of Southampton, led by Dr Steve Dorney, of science. When members of the public played our game,
we brainstormed ideas in our field that we could present to we explained the theoretical concept of PESs, how chemists
the public. The winning idea was to represent potential energy use computers to perform PES calculations and simulations,
surfaces (PESs) as putting greens in a game of putt putt golf. and how this is useful for ‘real’ laboratory experiments. This
The position of the golf ball on the surface corresponds to a discussion naturally flowed into a broader discussion of the
certain configuration of atoms. By putting the ball along the usefulness of Theoretical and Computational Chemistry in
green to the golf hole, we represent a reaction path to a stable everyday life, drawing on concrete examples.
minimum on the PES – that is, a chemical reaction that forms a
favourable molecule. A highlight of the festival for us was when a group of school
teachers expressed great interest in using our game as a
Since the workshop, we have classroom teaching aid. We have also been encouraged ourselves
been developing this concept to dream big – applying for grants and awards, setting up a
as a computer game in which website, and taking the game to further stages.
a successful putt signifies a

G reen Labs for a Sustainable Future

The Department of Chemistry has an award-winning team of temperature of freezers and recycling non-hazardous waste, all
staff and researchers dedicated to promoting sustainability add up and help to reduce the impact of our actions.
through the Green Impact Scheme, a national initiative We should all be working towards sustainability in laboratories,
established by the National Union of Students. Team guiding future generations of chemists to respect their
members Sue Henderson and Jean-Charles Buffet explain.
environment and improve their way of life.
Sustainability in laboratories is much more than a concept;
it should be our way of life. As chemists (inorganic, organic L-R: Green Impact Team members Sue Henderson, Jean-Charles
or physical), we should always strive towards precision and Buffet, Theresa Scharbert and Siyu Chen with Professor Donal
perfection. However, nowadays this should always go hand in Bradley, Head of Oxford University MPLS Division.
hand with sustainability.

The Chemistry Department has a large carbon and
environmental footprint, with high energy consumption.
There is a need to target sustainability; to encourage a change
in behaviour. In 2016 the Chemistry Department Green
Impact team was awarded Gold awards both overall and for
laboratories. A small team is working hard to make small
changes that add up to make a big difference. However,
everybody can help: students, staff; we are all in it together.
Small actions like closing fume hood sashes, switching off
equipment, lights etc when not needed, increasing the

13
Periodic
The Magazine of the Department of Chemistry