Timetable¶
Timetable: subject to change
| Date | Activity | Location |
|---|---|---|
| September 4 Day 1 | LT22 Sir Robert Hadfield Building | |
| 13:00 - 14:00 | Arrival&Registration | Turner Museum of Glass |
| 14:00 - 14:10 | Intro - Colin Freeman | |
| 14:10 - 15:00 | Invited Talk Christian Holm (University of Stuttgart) | Investigating ion partitioning and protein uptakes in weak polyelectrolyte bushes: a simulational study |
| 15:00 - 15:25 | Natalia Martinsovich (University of Sheffield) | Oxygen-functionalized graphene: computational modelling of structures, properties and application in phosphate sensing |
| 15:25 - 15:55 | Coffee Break | Turner Museum of Glass |
| 15:55 - 16:20 | Hannah Wood (University of Manchester) | Stability and structure of the aqueous LiTFSI–LiCl interface |
| 16:20 - 16:45 | Pooja Goodard (University of Loughborough) | Bubble formation in CdTe |
| 16:45 - 17:10 | Elliott Kasoar (Science and Technology Facilities Council) | Digital Infrastructure for machine learnt interatomic potentials |
| 17:10 - | Close | |
| 19:00 - | Conference Dinner @ Inox Dine | |
| September 5 Day 2 | LT22 Sir Robert Hadfield Building | |
| 9:30 - 10:20 | Invited Talk Aaron Finney (University of Liverpool) | Asymmetric adsorption, liquid-like clusters, and multiple pathways to crystals: an in-depth look at the solid/solution interface |
| 10:20 - 10:45 | Karen Johnston (University of Strathclyde) | Tuning Crystallisation in Sustainable Polymers using Fillers and Plasticisers |
| 10:45 - 11:15 | Coffee Break | Turner Museum of Glass |
| 11:15 - 11:40 | Paola Carbone - CCP5 News and Business | |
| 11:40 - 12:05 | Maarten Boomstra (Eindhoven University of Technology) | Nano-filler enhanced paraffin wax for heat storage |
| 12:05 - 12:30 | Joseph Filcroft (University of Manchester) | Bismuth Oxychacogenides as Thermoeletric Materials |
| 12:30 - 13:45 | Lunch | Turner Museum of Glass |
| 13:45 - 14:35 | Invited Talk – Tahereh Nematiaram (University of Strathclyde) | Computational Methods for Advancing Materials Discovery in Organic Electronics |
| 14:35 - 15:00 | Bassey Oboho (University of Loughborough) | Modelling Niobium-based 3x3 Wadlsey-Roth Anode Materials for Lithium-ion Batteries |
| 15:00 - 15:25 | Chris Woodgate (University of Warwick) | Using the Coherent Potential Approximation and DFT to Examine the Phase Behaviour of High-Entropy Alloys: Case Study of $Al_xCrFeCoNi$ |
| 15:25 - 15:50 | Coffee Break | Turner Museum of Glass |
| 15:50 - 17:30 | Poster Session | Turner Museum of Glass |
| 19:00 - | Dinner @ St Pauls Mecure | |
| September 6 Day 3 | LT22 Sir Robert Hadfield Building | |
| 9:30 - 9:55 | Karl Travis (University of Sheffield) | High Pressure Closure of Melting and Freezing Behaviour |
| 9:55 - 10:20 | Guinan Zhao (University of Manchester) | All-atom simulations of CB6OIBeOn: a progress report |
| 10:20 - 10:35 | Douglas Parker | Introduction to Royce |
| 10:35 - 11:00 | Coffee Break | Turner Museum of Glass |
| 11:00 - 11:25 | Xiaocheng Shang (University of Birmingham) | Stochastic Norton Dynamics: Alternative Approach for the Computation of Transport Coefficients at Mesoscales |
| 11:25 - 11:50 | Ata Utku Ozkan (Bilkent University - National Nanotechnology Research Center) | Molecular Dynamics Simulations of Ionic Conductivity in 2D Birnessite |
| 11:50 - 12:15 | Marco Molinari (University of Huddersfield) | Modelling cerium oxide nanoparticle: from surface speciation to morphology |
| 12:15 - 12:20 | Close | |
| ! 12:20 - | Lunch |