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HetSys Summer Conference 2021

Thursday 15th July 2021
10.00am - 5.00pm, online via Zoom


The programme includes two keynote talks from Karsten Kruse (Geneva) and Daniel Cole (Newcastle) focussing on different areas of modelling in Biological Systems.

There will also be oral presentations from the second year HetSys students as well as online poster presentations from the current first year HetSys students.


10:00 - 10:10

Log-in and Introduction

10:10 - 10:55

Keynote Talk 1:
Karsten Kruse (Geneva)

Shaping active matter through topological defects

Chair: Tim Saunders (Warwick Medical School)

10:55 - 11:55

Presentations from Cohort 1 (Session 1)

10:55 - 11:10 Arre Rajkumar A data-driven approach to modelling the mechanics of block copolymer nanocomposites
11:10 - 11:25 Idil Ismail High Throughput screening of mechanistic hypotheses using machine-learning and multi-criteria decision making
11:25 - 11:40 Chris Woodgate Compositional Order in Multicomponent Medium and High Entropy Alloys
11:40 - 11:55 Matt Harrison Estimation of auto-covariance of log hydraulic conductivity from Generalized sub-Gaussian porosity and particle size random fields'
11:55 - 12:00 Break
12:05 - 13:05 Presentations from Cohort 1 (Session 2)

12:05 - 12:20 Kat Blow A Question of Sampling
12:20 - 12:35 Carlo Maino Excited-State Machine Learning for Chromophores in Complex Environments
12:35 - 12:50 Jingbang Liu The Nano-Physics of Spreading: A Fluctuating Hydrodynamics Study
12:50 - 13:05 Andrew Angus Data-Driven Modelling of Stimulated Raman Scattering in Ignition-Scale ICF Simulations

13:05 - 13:30 Lunch
13:30 - 14:15 Flash Poster Presentations from Cohort 2
14:15 -15:00

Poster Breakout Session 1

Room 1 Omar Adesida: Nested Sampling as a Tool for Generating Phase Diagrams for Organic "Toy" Molecules
Room 2 Iain Best: Uncertainty Quantification for Interatomic Potentials
Room 3 Joe Gilkes: Building a Database for DFTB Parametrisation
Room 4 Tadashi Matsumoto: Adaptive probabilistic meshless methods for evolutionary systems
Room 5 Lakshmi Shenoy: Simulating fracture in irradiated materials
Room 6

James Targett: Theoretical Studies of Thermal Conduction in Molecular Junctions


15:00 - 15:15 Break
15:15 - 16:00

Poster Breakout Session 2

Room 1 Connor Allen: Gaussian Approximation Potentials for Ti based alloys
Room 2 Adam Fisher: Using Kinetic Monte Carlo to Investigate NiAl Superalloys
Room 3 Peter Lewin- Jones: Nanoscale Contact Dynamics Beneath Impacting Droplets
Room 4 Charlotte Rogerson: Validating Hydrodynamic Codes with ICF Shock Timing Data
Room 5 Alisdair Soppitt: Statistics of porous media attributes and mixing
processes state variables across scales
Room 6

Steven Tseng: It’s all in the Structure: Transforming drug design by bringing together molecular simulations and machine learning

16:00 - 16:45

Keynote Talk 2:
Daniel Cole (Newcastle)

Quantum and Classical Atomistic Modelling in Biology and Medicine

Chair: Nick Hine (Department of Physics, Warwick)

16:45 - 17:00 Closing words and prizes