HetSys Summer Conference 2022

Tuesday 19th and Wednesday 20th July 2022
Scarman House, University of Warwick, Coventry

10:00

Welcome and Introduction

10:10

Keynote Talk: Catherine Powell (Manchester University)
Chair: Julie Staunton

Intrusive Methods for Forward UQ in Engineering Applications

11:10

Morning Coffee Break

11:45

Cohort 1 Presentations: Session One
Chair: Julie Staunton

Andrew Angus
Modelling Stimulated Raman Scattering in Laser Direct-drive Fusion Plasmas at Ignition Scale
Jingbang Liu
Modelling confined thinfilms at nanoscale

13:00

Lunch

14:00

Presentations from Cohort 2 (Session 1)
Chair: Nick Hine

14:05	Peter Lewin-Jones	Dynamic Leidenfrost Effects: Computational Modelling to Predict Transitions in Drop Impact
14:20	Alisdair Soppitt	Simulation of turbulent mixing in channels with reactive boundary conditions
14:35	Tadashi Matsumoto	Probabilistic Meshless Methods for Parabolic Partial Differential Equations (P.D.Es)
14:50	Iain Best	Uncertainty Quantification in Atomistic Simulations using Interatomic Potentials
15:05	Adam Fisher	Using kinetic Monte Carlo to investigate crystal growth in NiAl Superalloys.
15:20	James M Targett	Quantum Interference Enhanced Thermopower in Single Molecules

15:45

Afternoon Tea Break

16:15

Presentations from Cohort 2
Chair: Nick Hine

16:20	Steven Tseng	A SOAP Opera: Methods for Modeling the Relationship Between Molecular Structure and Solubility
16:35	Lakshmi Shenoy	A machine learning interatomic potential for simulation of fracture in α-iron
16:50	Connor Allen	An Efficient Approach for Improving Phonon Representation in Machine Learned Potentials.
17:05	Joe Gilkes	Towards Automatic Reaction Networking for Modelling Long-Term Degradation of Materials
17:20	Charlotte Rogerson	Validating Hydrodynamic Codes for Inertial Confinement Fusion using experimental Shock-timing Data

18:00

Poster Session and Drinks Reception

19:30

Dinner

Day 2: Wednesday 20th July
10:00	Keynote Talk: Keith Butler (STFC) Chair: James Kermode Opening the Black Box: How Understanding And Interpreting Machine Learning Models can Enhance Materials Design and Characterisation
11:00	Morning Coffee Break
11:30	Cohort 1 Presentations: Session Two Chair: James Kermode Idil Ismail Successes and challenges in using machine-learned activation energies in microkinetic simulations Carlo Maino Excited State Machine Learning for Chromophores in Complex Environments
12:30	Lunch
13:30	Cohort 1 Presentations: Session Three Chair: Julie Staunton Chris Woodgate Short-Range Order in High-Entropy Alloys: First Principles Theory and Atomistic Modelling Arre Rajkumar From self-assembly to mechanical behaviour: a data-driven framework for block copolymers. Matt Harrison Quantification of Heterogeneity of Spatially Averaged Generalized sub-Gaussian Random Fields
15:00	Afternoon Tea Break
15:30	Flash Presentations from Cohort 3 Chair: Julie Staunton
16:30	Closing remarks and prizes