Members

David

Having spent the first eighteen years of my life in Staffordshire I have
now been in Bath for approaching nine years (with the exception of a
brief spell in Chester on placement). As an undergraduate I was one of the
second intake of Natural Sciences doing mainly Chemistry and Maths and so
it was perhaps inevitable I should end up a computational chemist.
I joined the Solid state group in 1999 and the topics of my Ph.D were
calculating vibrational properties of minerals from MD trajectories and
segregation to iron oxide surfaces. As a post doc I am still never very far
from iron oxide but have widened my scopt to looking at ZnO and TiO2 as
well. I also spend a lot of time playing with computers and trying to
compile our codes on any new machhines that crop up.
Outside Univerisity I am a hill walking, Stoke City supporting, Scout, who
like the occasional glass of real ale.

Contact email: chsdjc@bath.ac.uk

Arnaud

I have been working in the field of molecular modelling since 1995
(tempus fugit ...). The first four years of this journey of self discovery were spend (the temptation to use 'wasted' in this context is still hard to resist) preparing a DEA (a weird pre-PhD french thingy) and a PhD at Besancon, a small city not too far from the swiss border. There I learned some rudiments of classical modelling, molecular dynamics and honed my skills for intrigue and conspiration. Well I managed to escape relatively unbruised and fled to the green shores of lovely Ireland for a postdoc at the Atomistic Simulation Group of the Queen's University of Belfast, under the direction of Prof. Mike Finnis. Mike was a great boss, and I think I learned a lot, and had a great time too ! My work in Belfast revolved around DFT and lattice dynamics. And I have to stress that Belfast is a great place to live, my three years there are full of very fond memories. Getting used to, and starting to really enjoy, british culture I went on to work in the group of Prof. Steve Parker, at the university of Bath. Steve is a great Boss too, and I think I am still learning a lot and I enjoy using the vast range of modelling technique practised here. Furthermore, my project is dealing with environmental eScience, and is a good mix of physics, chemistry, geochemistry, programming, grid
computing ...

Contact email:chsam@bath.ac.uk

Arnaud's homepage

Seb

After a two-years degree in France at the University of Rennes, I came to Bath in 1998 and graduated in Chemistry 3 years later.

I did my final year undergraduate project with Prof. Steve Parker on the formation of water defects in the minerals of the Earth's Mantle.

I'm now in the final year of my PhD in Steve's group and I'm studying the structure and dynamics of calcium carbonate surfaces and their interface with water.

Contact email: chpsk@bath.ac.uk

Dino

I joined Steve Parker's Computational Chemistry group in October 2003 having graduated from University of Kent. I graduated with an MChem in Chemistry with a year in industry. I studied there for 4 years but one of those years was spent in Southampton where I did my year in industry with British American Tobacco. There I worked in the analytical laboratory testing among other thing the water levels in tobacco. I learnt various analytical techniques including GC, GCMS and automated Karl Fischer Titration. The title of my PhD is “Atomistic Simulations in Nanocrystals” but the main interest is in metal oxide crystals. I am originally from South London and have been brought up as a mad Chelsea supporter (no choice in my family!!). I enjoy playing football and I have always thought that I have been unlucky in never making the top level of professional football. I say unlucky, which is just a kind way of saying I am not very good.

Contact email: chpdas@bath.ac.uk

Paul

My first degree, from Brighton Polytechnic('88-'91), was Combined Science,
(Chemistry and Computing Science & Instrumentation). I came here to Bath
('91-'92) to train as a Secondary School Chemistry and Science Teacher and
successfully gained a P.G.C.E. in secondary science education. I taught
chemistry in Kent and Worcestershire over a period of eleven years.
I was inspired to return to study for a one year MSc. in Multidisciplinary
Informatics at the University of Leeds and was further inspired there,
particulary in the areas of Scientific Modelling and Simulation, by Doctors
Jason Noble and Seth Bullock. This interest attracted me towards my current
PhD research project which is concerned with the Simulation of the
Structure, Properties and Reactivity of Ionic Nanoparticles.
'Out of School' interests include the ups-and downs of Torquay United
Football Club and music which includes performing with Walcott Community
Choir and playing percussion for local bands.

Contact email:chppm@bath.ac.uk

Heidrun

My interest in chemistry developed at school so I started studying Chemistry
at the Technical University of Darmstadt in 2000. In 2002, after the
Vordiplom, I went to the University of Bath as an Erasmus student and got
stuck. I am finishing my Master in Chemistry this year in Bath.
I am working on my master thesis under the supervision of Dr A Marmier.
This project aims at modeling the electrodes of a Polymer Electrolyte Fuel
Cell. This is approached by modelling gas flow in carbon nanotubes with the
molecular dynamics package DL_POLY.

Contact email: ch2has@bath.ac.uk