The full conference programme is below:
Wednesday 9 July
|
12.00-12.30
|
Registration
|
|
12.30-13.30
|
Lunch
|
|
13.30-13.35
|
Open and Introduction - James Kermode
|
|
13.35-14.30
|
Cohort 6 project overviews
Chair: James Kermode
Maks Diakiewicz, George McKay, Swathi Mahashetti, Luca Seaford, Sean Wu, David Bewicke, Rumesh Sudhaharan, George Simmons, Keyi Wei, Luca Gasparro, James Gulliford, Facundo Costa.
|
|
14.30-14.40
|
Comfort break
|
|
14.40-15.40
|
Cohort 4 presentations: Session 1
Chair: Lakshmi Shenoy
| Chantal Baer |
Computational atomic-level investigation of the Li-metal/Li-argyrodite interface stability |
| Jacob Eller |
Machine Learning Excited State Potential Energy Surfaces of Solvated Nile Red with ESTEEM |
|
|
15.40-16.10
|
Break with refreshments
|
|
16.10-17.10
|
Cohort 4 presentations: Session 2
Chair: Katarina Blow
| Arielle Fitkin |
Metal-organofluorine interactions and their role in selective metal deposition for next-gen photovoltaics |
| Vincent Fletcher |
Thermodynamically Informed Optimal Autonomous MLIP Database Generation |
|
|
17.10-17.20
|
Comfort break
|
|
17.20
|
Cohort 5 presentations:Session 1
Chair:Oscar Holroyd
| Zahra Bhatti |
Machine Learning Prediction of Oscillator Strengths for the Generation of UV/Vis Spectra of Explicitly-Solvated Systems |
| Roman Shantsila |
(Inter)facing the Bitter Truth: How to Design Better Interfaces in Next-Gen Batteries using Atomistic Simulations Assisted by Machine-Learning |
| Valdas Vitartas |
Surrogate Hamiltonians for Gold: From Linear Models to Deep Learning |
|
|
18.20
|
Posters, 3d models and objects
|
|
19.30
|
Close for day 1
|
Thursday 10 July
|
09.30-10.30
|
Cohort 4 presentations: Session 3
Chair: Chris Woodgate
| Mariia Radova |
Fine-tuning foundation models of materials interatomic potentials with frozen transfer learning |
Joseph
Duque-Lopez |
A Multiscale Approach to Modelling Dislocation Loops in Tungsten |
|
|
10.30-11.00
|
Break with refreshments
|
|
11.00-12.00
|
Cohort 4 presentations: Session 4
Chair: Jingbang Liu
| Anson Lee |
Ion transport via a travelling wave in a cylindrical guide |
| Sebastian Dooley |
Data-driven equation discovery for liquid film flows |
|
|
12.00-12.10
|
Comfort break
|
|
12.10-13.10
|
Radu Cimpeanu introduces:
Keynote Lecture,
J.Nathan Kutz, Washington
|
| 13.10-14.10 |
Lunch
|
|
14.10-15.00
|
Life after the PhD
Nick Hine to chair
|
|
15.00-15.10
|
Comfort break
|
|
15.10-16.10
|
Livia Bartók Pártay introduces:
Keynote Lecture,
Natalia Martsinovich, Sheffield
|
|
16.10-16.50
|
Break with refreshments
|
|
16.50-18.30
|
Cohort 5 presentations: Session 2
Chair: Joe Gilkes
| Philip Jones |
Muon Cascade Calculations |
| YC Wong |
Machine Learning Multiscale Simulation for Defects in Strongly Correlated Oxides |
|
Matthew Christensen
|
Quantum Carleman Linearisation of the Vlasov-Maxwell System
|
|
|
18.30
|
Posters, 3d models and objects
|
|
19.30
|
Conference Dinner
|
Friday 11 July
|
Time
|
What
|
|
09.30-11.00
|
Cohort 4 presentations: Session 5
Chair: Tom Rocke
| Fraser Birks |
New Methods for Atomistic Simulations in Materials Science |
| Yu Lei |
Hollow Multi-Slice Electron Ptychography for Simultaneous 3D Structural Imaging and EELS in 4D-STEM |
|
Hubert Naguszewski
|
Predicting the committor for the 2D Ising model using graph and convolutional neural networks. and Optimal parallelisation strategies for flat histogram Monte Carlo sampling. |
|
|
11.00-11.30
|
Break with refreshments
|
|
11.30-12.50
|
Cohort 5 presentations: Session 3
Chair: Peter Lewin-Jones
| Yihui Tong |
Global MHD and Test-Particle simulations of outer radiation belt flux drop-out events |
| Minerva Schuler |
A mathematical model for rocking bioreactors using feedback control |
|
Yuji Go
|
Characteristic scattering exponents for electronic transport in complex thermoelectric materials from ab initio calculations
|
| Nojus Plunge |
Progress towards phase-field modeling of anisotropic crack propagation using physics-informed deep learning |
|
|
12.50-13.50
|
Lunch
|
|
13.50
|
Closing remarks and prizes - James Kermode
|
|
14.00
|
Conference close
|
