Each year we hold an Annual Symposium in which TMCS staff, students and partners gather together to share research progress and network.

The TMCS Annual Symposium will be held at the University of Bristol on 4th–5th July 2018.

View of Bristol

Talks and posters (up to A1 or A0 portrait) will take place at the H H Wills Physics Laboratory on Tyndall Avenue, a pleasant mile-and-a-half walk from Bristol Temple Meads railway station. Alternatively a taxi will take about 10 minutes, or you can hop on any number 8 or 9 bus from the station. Don't go to Bristol Parkway station - it's miles away. Map.

Student talks will be allocated 20 minutes plus 5 minutes for discussion. Keynote talks, given by Prof Syma Khalid and Prof Graham Worth, will be 40 minutes plus 5 for discussion.

The programme for the event is as follows:

Wednesday 4th July 2018
12:00–13:00 Arrival, buffet lunch
13:00–15:00 Session 1:
Will Glass
Multiscale molecular dynamics to explore voltage-gated sodium
channel oligomerisation

Weng Sio
A first principle theory of polarons

Mike Connolly
The role of dynamics in enzyme catalysis

Prof Graham Worth Quantum dynamics simulations of non-adiabatic
photochemistry: following fundamental photo-excited chemistry
15:00–15:45 Tea and coffee
15:45–17:25 Session 2:
David McDonagh
Mapping crystal structure landscapes to different levels of theory
by predicting terms in the many-body expansion

Joseph Lawrence
The non-adiabatic to adiabatic transition

Stash Welsh
Many-body localization: a Fock-space approach

Rob Shaw
Machine learning in quantum chemistry
17:25–19:00 Posters and drinks reception
19:00– Symposium dinner

Thursday 5th July 2018
08:45–09:15 Coffee and pastries
09:15–10:45 Session 3:
Darren Valentine
Singlet fission in carotenoids

Lee Steinberg
Investigating the structure of water networks using topological
data analysis

Xinglong Zhang
DFT study of organic systems
10:45–11:30 Tea and coffee
11:30–13:00 Industry-led Session on Careers
Misbah Sarwar (Johnson Matthey)

Jacob Gavartin (Schrödinger)

Angeles Pulido (CCDC)

Short overviews of current employers, how computational chemistry is
used, and personal career pathways; Q&A session with panel of
speakers, chaired by Dr Natalie Fey (Bristol).
13:00–14:00 Buffet lunch
14:00–16:00 Session 4:
Sylvia Amabilino
Fitting potential energy surfaces with neural networks

Domen Prešern
Studying mechanical and thermodynamic properties of DNA
nanostructures with coarse-grained modelling

Jonathan Shearer
The flow of proteins and idealised pores within the
membranes of Gram-Negative bacteria

Prof Syma Khalid
Focussing the computational microscope on bacterial membranes
16:00 Closing remarks

For any enquiries please contact Ms Simone Breckell.

EPSRC University of Oxford University of Bristol University of Southampton