Thursday 15th July 2021
10.00am - 5.00pm, online via Zoom
Details
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.
Programme
|
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 |
