Timetable¶
a pdf of the programme can be downloaded from here
| Time | Speaker | Title/Details |
|---|---|---|
| September 8 | ||
| 12:00 - 13:00 | Arrival and Registration | Harrison Hughes Reception, School of Engineering |
| 13:00 - 13:15 | Welcome | Hele Shaw Lecture Theatre |
| 13:15 - 14:00 | Livia Bartok-Partay, University of Warwick | Surface Phase Diagrams: Insights from Nested Sampling |
| 14:00 - 14:25 | Ian Rouse, University College Dublin | NPCoronaPredict: A Multiscale, Coarse-Grained Software Pipeline for Predicting the Nanoparticle-Biomolecule Corona |
| 14:25 - 15:10 | Stephen Cox, Durham University | Going Beyond Molecular Simulations with Neural Functional Theory |
| 15:10 - 15:40 | Coffee Break | Hele Shaw Lecture Theatre |
| 15:40 - 16:25 | Marcus Campbell Bannerman, University of Aberdeen | Event-Driven Molecular Dynamics and the Search for Anomalous Thermal Conduction |
| 16:25 - 16:50 | Murat Ozlek, University College London | Interfacial Phonon Bridging in Interlocked Graphene/Graphite Structures |
| 16:50 - 17:15 | Vanessa Ward, Durham University | Reframing the Arrhenius Law for Ion Transport in Solid Electrolytes |
| 17:15 - 17:40 | Samuel Ericson, University of Manchester | Coupling Micro-Mechanical and Molecular Models to Optimize Polymer Composites |
| 17:40 - 19:30 | Poster Session | Mason Bibby Common Room |
| September 9 | ||
| 09:00 - 09:45 | James Elliott, University of Cambridge | Mesoscale Simulations of Ionomer Membranes |
| 09:45 - 10:10 | Amali Galappaththi Guruge, University of Liverpool | Structural Changes in PEODT:PSS Interfaced with Water |
| 10:10 - 10:35 | Ajeeth Kanagarajan, Durham University | Negative Chemotaxis of Polymeric Vesicles |
| 10:35 - 11:00 | Coffee Break | Hele Shaw Lecture Theatre |
| 11:00 - 11:45 | Xiaocheng Shang, University of Birmingham | Stochastic Norton Dynamics |
| 11:45 - 12:10 | Adri Escañuela-Copado, University of Granada | Modelling Polymer Nanocomposites |
| 12:10 - 12:30 | Paola Carbone, CCP5 Chair | AGM News and Business |
| 12:30 - 13:30 | Lunch | Mason Bibby Common Room |
| 13:30 - 14:15 | Paramvir Ahlawat, University of Cambridge | All-Atom Simulations of Halide Perovskites |
| 14:15 - 14:40 | Matteo Paloni, University College London | Nucleation in Ferritin Nanocages |
| 14:40 - 15:05 | Cillian Cockrell, Bangor University | Glass Network – Cs2O-loaded Iron Phosphate |
| 15:05 - 15:30 | Xue Yong, University of Liverpool | Carbon Nitride-Supported Metals for HMF Oxidation |
| 15:30 - 16:00 | Coffee Break | Hele Shaw Lecture Theatre |
| 16:00 - 16:45 | Denis Andrienko, Max Planck Institute | Molecular Ordering in Deposited Films |
| 16:45 - 17:10 | Eleonora Ricci, University of Edinburgh | Modelling Polymer Separation Membranes |
| 17:10 - 17:35 | Khadija Asif, University of Strathclyde | CO₂ Adsorption Predictions in MOFs |
| 19:00 | Conference Dinner | Hope Street Hotel |
| September 10 | ||
| 09:00 - 09:45 | Kim Jelfs, Imperial College London | Computational Molecular Materials Discovery |
| 09:45 - 10:10 | Elliott Kasoar, STFC/University of Cambridge | Digital Infrastructure for Interatomic Potentials |
| 10:10 - 10:35 | Wenkai Zhang, STFC | PSDI - What can we do for you |
| 10:35 - 11:00 | Coffee Break | Hele Shaw Lecture Theatre |
| 11:00 - 11:45 | Doug Cleaver, Sheffield Hallam University | Simulations Behaving Badly |
| 11:45 - 12:10 | Harvey Devereux, Queen Mary University | System Properties in DL_POLY 5 |
| 12:10 - 12:35 | Gabriell Bramley, Cardiff University | EmbASI: QM-in-QM Embedding Library |
| 12:35 - 14:00 | Lunch and Departure | Mason Bibby Common Room |