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.
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 |