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.
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.