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

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."

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."