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12.00
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Registration
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Scarman House
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12.30
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Lunch
After lunch the group moves to main campus, sessions will take place in the PLT off the Science Concourse
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Scarman House
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14.00
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Open and Introduction
James Kermode
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PLT |
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14.05
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Introduction from Julie Staunton - Keynote Presentation: Laura Lewis, Northeastern University College of Engineering
Magnetism.... more than magnets - A discussion of interdisciplinarity and opportunities
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PLT
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15.05
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Comfort break
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Concourse |
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15.20
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Cohort 3 presentations: Session 1 [Chair - Peter Lewin-Jones, Cohort 2]
| Oscar Holroyd |
Control of falling liquid films with restricted observations
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| Ben Gosling |
Investigation of laser plasma instabilities driven by 1314 nm laser pulses at shock ignition conditions using multi-dimensional kinetic simulations |
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PLT |
| 16.20 |
Break with refreshments |
Concourse |
| 16.50 |
Cohort 4 presentations: Session 1 [Chair - Charlotte Rogerson, Cohort 2]
| Chantal Baer |
Simulating the microstructure and ionic conductivity of Li-metal/Li-argyrodite interfaces
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| Yu Lei |
Towards Atomic Resolution of Cryogenic Ptychography Single-Particle Analysis (Cryo-EPty SPA)
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| Hubert Naguszewski |
Investigating the efficacy of CNNs and GNNs at predicting the committor for the 2D Ising model
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|
PLT |
| 18.00 |
Poster Session and networking drinks |
Concourse |
| 19.30 |
Close for day 1 |
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Thursday 11 July
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| 09.30 |
Cohort 3 presentations: Session 2 [Chair - Lakshmi Shenoy, Cohort 2]
| Dylan Morgan |
Using Core-Hole-Constrained DFT to Simulate Surface Spectroscopy with Relativistic Corrections |
| Jeremy Thorn |
Untangling disorder in amorphous pharmaceuticals using artificial intelligence |
| Anas Siddiqui |
Understanding Domain Reconstruction of Twisted Bilayer and Heterobilayer Transition Metal Dichalcogenides through Machine Learned Interatomic Potentials |
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PLT |
| 11.00 |
Break with refreshments |
Concourse |
| 11.30 |
Introduction from James Kermode - Keynote Lecture: Gianpietro Moras, Fraunhofer Institute for Mechanics of Materials IWM
Modelling the interplay of mechanics and chemistry at tribological interfaces
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PLT |
| 12.30 |
Lunch |
Concourse |
| 13.30 |
Cohort 3 presentations: Session 3 [Chair - Joe Gilkes, Cohort 2]
| Matyas Parrag |
MemPrO: Membrane Protein Orientation in Lipid Bilayers |
| Ziad Fakhoury |
Contact Map Path Sampling for Protein Folding
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|
PLT |
| 14.30 |
Comfort break |
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| 14.45 |
Flash presentations [Chair - Livia Bartok-Partay]
| Valdas Vitartas |
Machine-learning quantum surrogate models to simulate energy transport across interfaces |
| Matthew Christensen |
Reliable quantum simulations of plasma and fusion physics |
| Nojus Plungė |
Blending ultrasound data with physics-based models to predict damage in structural systems |
| Yuji Go |
Complex Electronic Structures for Thermoelectric Energy Materials |
| Minerva Schuler |
Alternative protein sources: growing the next generation computational modelling framework |
| Y C Wong |
Machine Learning Multiscale Simulation Of Photoconductivity In Correlated Oxides |
| Zahra Bhatti |
Charting a course towards new light-activated molecules |
| Roman Shantsila |
(Inter)facing the Bitter Truth: How to Design Better Interfaces in Next-Gen Batteries using Atomistic Simulations Assisted by Machine-Learning |
| Yihui Tong |
Developing the capability to forecast extreme Space Weather events |
| Philip Jones |
What's that made of? Modelling muonic X-ray radiation for quantitative elemental analysis |
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PLT |
| 15.45 |
Break with refreshments |
Concourse |
| 16.15 |
Cohort 4 presentations: Session 2 [Chair - Connor Allen, Cohort 2]
| Mariia Radova |
Fine tuning of MACE foundations models with transfer and delta learning |
| Fraser Birks |
QM/MM Style Mixing of Machine-Learned Interatomic Potentials to Accelerate Simulations |
| Jacob Eller |
Machine Learning Excited State Potential Energy Surfaces of Solvated Nile Red with ESTEEM
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| Arielle Fitkin |
Investigating the role of metal-organofluorine interactions in selective metal deposition |
| Vincent Fletcher |
Thermodynamically Informed Phase Space Exploration for Optimal Autonomous MLIP Dataset Building |
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PLT |
| 17.50 |
Poster Session and networking drinks |
Concourse |
| 19.00 |
Conference Dinner |
Scarman House |
Friday 12 July
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| 09.30 |
Cohort 3 presentations: Session 4 [Chair - Adam Fisher, Cohort 2]
| Thomas Rocke |
How Semi-Conductor Lasers Fail - Modelling Defect Effects |
| Geraldine Anis |
Dislocation dynamics in Ni-based superalloys from atomistic simulations |
| Matt Nutter |
Influence of Helium on Screw Dislocation Mobility in Tungsten
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|
PLT |
| 11.00 |
Break with refreshments |
Concourse |
| 11.30 |
Cohort 4 presentations: Session 3 [Chair - Peter Brommer] |
PLT |
| |
| Sebastian Dooley |
Data-driven equation discovery for liquid film flows thick and thin |
| Joseph Duque-Lopez |
A Regularised Approach to Modelling Dislocation Loops in Tungsten
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| Anson Lee |
Tracking ions in a travelling-wave based ion mobility mass spectrometer |
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| 12.30 |
Lunch |
Concourse |
| 13.30 |
Closing remarks and prizes
Emma Flynn, Provost |
PLT |
| 14.00 |
Close |
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