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HetSys Summer Conference 2023

Wednesday 19th - Friday 21st July 2023
Scarman House, University of Warwick, Coventry

The conference will feature talks, posters and flash presentations from our current students as well as keynote presentations from two invited speakers.

Schedule
Day 1: Wednesday 19th July

13:00

Lunch: Lakeview Restaurant, Scarman House

14:00

Welcome and introduction, Space 42

14.10

Keynote Lecture: Livia Bartok-Partay "Computational thermodynamics: what can we learn about an interatomic potential?"

15.10

Break, Scarman Lounge

15.30

Cohort 2 presentations: Session 1. [Chair - Aravinthen Rajkumar (Cohort 1)]

Connor Allen "Development of workflows for modelling bulk materials."

Adam Fisher "First Principle Validation of Energy Barriers in Ni3Al."

16.30

Break, Scarman Lounge

17.00

Cohort 3 presentations: Session 1 [Chair - Aravinthen Rajkumar (Cohort 1)]

Matt Nutter "Spanning the scales: insights into dislocation mobility provided by machine learning and coarse-grained models."

Geraldine Anis "Dislocation dynamics in Ni-based superalloys from atomistic simulations."

Thomas Rocke "Atomistic failure in III-V semiconductors."

18.00

Poster Session and networking drinks, Scarman Small Bar

19:00

Close

Day 2: Thursday 20th July

09.30

Cohort 2 presentations: Session 2 [Chair - Andrew Angus (Cohort 1)]

Peter Lewin-Jones "Computational modelling to predict transitions in drop impact."

Charlotte Rogerson "Framework for optimizing free parameters in ICF Hydrodynamic simulations using Gaussian Process Surrogate models."

11:00

Break, Scarman Lounge

11:30

Flash presentations from Cohort 4

12:30

Lunch: Lakeview Restaurant, Scarman House

13:30

Keynote Lecture: Alex Robertson "Partnering modelling and experiment to yield fundamental insights into defects in 2D materials."

14:30

Break, Scarman Lounge

14.45

Cohort 2 presentations: Session 3 [Chair - Chris Woodgate (Cohort 1)]

Iain Best "Uncertainty quantification in atomistic simulations using interatomic potentials."

Alisdair Soppitt "Model for the simulation of reaction-mixing processes at boundary layers."

Lakshmi Shenoy "Modelling fracture and defects in steel."

16.15

Break, Scarman Lounge

16:30

Cohort 3 presentations: Session 2 [Chair - Jingbang Liu (Cohort 1)]

Ben Gosling "Determining the presence of laser-plasma instabilities in particle in cell simulations."

Oscar Holroyd "Linear quadratic regulation control for falling liquid films."

Ziad Fakhoury "Generating protein folding trajectories using contact-map-driven walks."

Matyas Parrag "MemPrO: Membrane Protein Orientation in lipid bilayers."

17.30

Poster Session and networking drinks, Scarman Small Bar

19:00

Conference Dinner: Lakeview 2 Restaurant (small area), Scarman House

Day 3: Friday 21st July
09.30

Cohort 2 presentations: Session 4 [Chair - Chris Woodgate (Cohort 1)]

Omar-Farouk Adesida "Exploring the phase behaviour of hard sphere dimers: a nested sampling approach."

Joe Gilkes "Advances in automated long-timescale chemical breakdown simulations."

Steven Tseng "A unified approach to solubility prediction: combining graph representations with molecular descriptors."

11:00 Break, Scarman Lounge
11.30

Cohort 3 presentations: Session 3 [Chair - Matt Harrison (Cohort 1)]

Anas Siddiqui "Machine-learned interatomic potentials for transition metal dichalcogenides Mo(1-x)W(x)S(2-2y)Se(2y alloys."

Jeremy Thorn "Modelling Disorder in Amorphous Pharmaceuticals with NMR" - postponed to Monday.

Dylan Morgan "Simulation of X-Ray Spectroscopy for Condensed Matter Systems."

12:30 Lunch: Lakeview Restaurant, Scarman House
13.30 Closing remarks and prizes