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HetSys Summer Conference 2022

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

Details

The 2022 programme included keynote talks from Catherine Powell (Manchester) and Keith Butler (STFC) focussing on different areas of mathematical and computational modelling, as well as talks, posters and flash presentations from our current students.

Conference Schedule

Day 1: Tuesday 19th July
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