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 was held at the University of Southampton on 19th and 20th September 2019.

View of Bristol

Talks and posters (up to A1 or A0 portrait) were shown at the Hartley Suite, building 38, this is centrally located in the Highfield Campus.  Map.

Students gave talks and discussed their research. Keynote talks were given by Prof Jochen Blumberger and Prof Fernanda Duarte.

The programme for the event was as follows:

Thursday 19th September 2019
12:00–13:00 Arrival, buffet lunch and set up posters
13:00–15:00 Session 1:
Tom Fay
Quantum effects in radical pair reactions  

Silvia Amabilino
Machine learning applied to computational chemistry

Domen Presern
Pleating a DNA nanotube: how to make folds straight and even

Timothy Burd                                                                     Semiclassical Transition State Theory – A few interesting applications
 
14:40–15:25 Tea and coffee
15:25–17:00 Session 2:
Joseph Lawrence                                                                           An improved Golden-Rule Quantum Transition State Theory                                                                                                                       Will Glass                                                                            Multiscale molecular dynamics simulations to investigate voltagegated sodium channel oligomerization                                                                                                                                                              Prof. Jochen Blumberger (UCL, Dept of Physics & Astronomy)                Computational Modelling of Charge Transport in Material Science and Biology
17:00–19:00 Poster session, outreach project demonstrations and drinks reception
19:00– Symposium dinner

Friday 20th September 2019
08:45-09:15 Tea and coffee
09:15–10:30 Session 3:
Jonathan Shearer                                                                             The Issues with Complexity in Model Bacterial Membranes
                                                                                                   Ukit Keyen                                                                              Comparing the Temperature Variation of Enzyme and Heterogeneous Catalysed Reactions
                                                                                              Victor Do Nascimento                                                                        Towards faster and smarter hydrate crystal structure prediction: In search of energetic and topological insights into their formation
10:30–11:10 Tea and coffee
11:10–12:10 Sessions on Careers
12:10–13:10 Lunch
13:10–14:45 Session 4:
Prof. Fernanda Duarte                                                                       TBC                                                                                                                                                                                                Darya Shchepanovska                                                             Photodissociation of HPALDs : Using non adiabatic dynamics to build models of excited state kinetics                                                                                                                                                             Callum Bungey                                                                                 Non-Born-Oppenheimer Electronic Vibrational Structure                                          
14:45-15:25 Tea and Coffee
15:25-16:40

Session 5

Khaled Abdel Maksoud                                                                      Non-Cartesian Enhanced Sampling - Riemann Manifold Hamiltonian Monte Carlo Frameworks

Ron Leizrowice                                                                          Electronic, Magnetic and Thermodynamic simulation of Actinide Oxide solid solutions                                                                       

 

  Closing remarks

 

EPSRC University of Oxford University of Bristol University of Southampton