The full conference programme is below:
Wednesday 10 July
|
12.00
|
Registration
|
Scarman House
|
|
12.30
|
Lunch
After lunch the group moves to main campus, sessions will take place in the PLT off the Science Concourse
|
Scarman House
|
|
14.00
|
Open and Introduction
James Kermode
|
PLT |
|
14.05
|
Keynote Presentation: Laura Lewis, Northeastern University College of Engineering
Magnetism.... more than magnets - A discussion of interdisciplinarity and opportunities
|
PLT
|
|
15.05
|
Comfort break
|
Concourse |
|
15.20
|
Cohort 3 presentations: Session 1
| Oscar Holroyd |
Control of falling liquid films with restricted observations
|
| Ben Gosling |
Investigation of laser plasma instabilities driven by 1314 nm laser pulses at shock ignition conditions using multi-dimensional kinetic simulations |
|
PLT |
| 16.20 |
Break with refreshments |
Concourse |
| 16.50 |
Cohort 4 presentations: Session 1
| Chantal Baer |
Hopping through the interfaces: a multiscale chemo-mechanic model for energy materials |
| Yu Lei |
Towards Atomic Resolution of Cryogenic Ptychography Single-Particle Analysis (Cryo-EPty SPA)
|
| Hubert Naguszewski |
Investigating the efficacy of CNNs and GNNs at predicting the committor for the 2D Ising model
|
| Laura Cairns |
Machine learning and quantum theory of magnets for energy efficient and renewable energy technologies
|
|
PLT |
| 18.10 |
Poster Session and networking drinks |
Concourse |
| 19.30 |
Close for day 1 |
|
Thursday 11 July
|
| 09.30 |
Cohort 3 presentations: Session 2
| Dylan Morgan |
Using Orbital-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 |
|
PLT |
| 11.00 |
Break with refreshments |
Concourse |
| 11.30 |
Keynote Lecture: Gianpietro Moras, Fraunhofer Institute for Mechanics of Materials IWM
Modelling the interplay of mechanics and chemistry at tribological interfaces
|
PLT |
| 12.30 |
Lunch |
Concourse |
| 13.30 |
Cohort 3 presentations: Session 3
| Matyas Parrag |
MemPrO: Membrane Protein Orientation in Lipid Bilayers |
| Ziad Fakhoury |
Protein origami: New computational methods to predict protein folding |
|
PLT |
| 14.30 |
Comfort break |
|
| 14.45 |
Flash presentations
| 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 |
|
PLT |
| 15.45 |
Break with refreshments |
Concourse |
| 16.15 |
Cohort 4 presentations: Session 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 |
Applying machine learning to understand photoprotection: how do triazine-based UV-filters really work? |
| 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 |
|
PLTPLT |
| 17.50 |
Poster Session and networking drinks |
Concourse |
| 19.00 |
Conference Dinner |
Scarman House |
Friday 12 July
|
| 09.30 |
Cohort 3 presentations: Session 4
| Thomas Rocke |
How Semi-Conductor Lasers Fail - Modelling Defect Effects |
| Geraldine Anis |
Dislocation dynamics in Ni-based superalloys from atomistic simulations |
| Matt Nutter |
Spanning the Scales: Insights into Dislocation Mobility Provided by Machine Learning and Coarse-Grained Models |
|
PLT |
| 11.00 |
Break with refreshments |
Concourse |
11.30
|
Cohort 4 presentations: Session 3
|
PLT |
| |
| Sebastian Dooley |
Data-driven equation discovery for liquid film flows thick and thin |
| Joseph Duque-Lopez |
Data-driven modelling of irradiation induced defects in fusion materials |
| Anson Lee |
Tracking ions in a travelling-wave based ion mobility mass spectrometer |
|
|
| 12.30 |
Lunch |
Concourse |
13.30
|
Closing remarks and prizes
Emma Flynn, Provost |
PLT
|
| 14.00 |
Close |
|
