|
Geraldine Anis |
3 |
Multiscale Modelling of Precipitation Strengthening in Alloys |
Atomistic |
|
Ziad Fakhoury |
3 |
Protein origami: New computational methods to predict protein folding |
Quantum |
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Ben Gosling |
3 |
Using surrogate models to optimise designs for laser-driven fusion power production |
Continuum |
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Oscar Holroyd |
3 |
Nonlinear, but under control: a hierarchical modelling approach to manipulating liquid films |
Continuum |
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Dylan Morgan |
3 |
Simulating Surface Spectroscopy of Single Atom Magnets and Catalysts |
Quantum |
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Matt Nutter |
3 |
Spanning the Scales: Insights into Dislocation Mobility Provided by Machine Learning and Coarse-Grained Models |
Atomistic |
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Matyas Parrag |
3 |
Exploring the Heterogeneous Biogenesis Pathways of the Bacterial Cell Envelope |
Quantum |
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Thomas Rocke |
3 |
How Semi-Conductor Lasers Fail - Modelling Defect Effects |
Atomistic |
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Anas Siddiqui |
3 |
2D Material Heterostructures and novel Twistronic Devices |
Quantum |
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Jeremy Thorn |
3 |
Untangling disorder in amorphous pharmaceuticals using artificial intelligence |
Quantum |
|
Chantal Baer |
4 |
Hopping through the interfaces: a multiscale chemo-mechanic model for energy materials |
Continuum |
|
Fraser Birks |
4 |
How amorphous carbon breaks: atomistic models and machine learning |
Atomistic |
|
Sebastian Dooley |
4 |
Fundamental physics or data science? Why not both: a data-driven modelling framework for interfacial microflows |
Continuum |
|
Joseph Duque-Lopez |
4 |
Data-driven modelling of irradiation induced defects in fusion materials |
Atomistic |
|
Jacob Eller |
4 |
Applying machine learning to understand photoprotection: how do triazine-based UV-filters really work? |
Quantum |
|
Arielle Fitkin |
4 |
Harnessing Molecular Simulations to advance Electronics and Photovoltaics: design rules for the selective deposition of metals by novel condensation techniques |
Quantum |
|
Vincent Fletcher |
4 |
A Complete Thermodynamic Description of Alloys to Extreme Pressure and Temperature |
Atomistic |
|
Anson Lee |
4 |
When the dust settles: predicting deposition of particulate and aerosols |
Continuum |
|
Yu Lei |
4 |
Artificial Intelligence (AI)-enabled Cryogenic Electron Ptychography For Bio-macromolecule Imaging |
Quantum |
|
Hubert Naguszewski |
4 |
Memory matters: Beyond Markovian models of rare event kinetics |
Quantum |
|
Mariia Radova |
4 |
Optimising power grids and chemical reactions with graph neural networks |
Quantum |
|
Zahra Bhatti |
5 |
Charting a course towards new light-activated molecules |
Quantum |
|
Matthew Christensen |
5 |
Reliable quantum simulations of plasma and fusion physics |
Quantum |
|
Yuji Go |
5 |
Complex Electronic Structures for Thermoelectric Energy Materials |
Quantum |
|
Philip Jones |
5 |
What's that made of? Modelling muonic X-ray radiation for quantitative elemental analysis |
Quantum |
|
Nojus PlungÄ— |
5 |
Blending ultrasound data with physics-based models to predict damage in structural systems |
Continuum |
|
Minerva Schuler |
5 |
Alternative protein sources: growing the next generation computational modelling framework |
Continuum |
|
Roman Shantsila |
5 |
(Inter)facing the Bitter Truth: How to Design Better Interfaces in Next-Gen Batteries using Atomistic Simulations Assisted by Machine-Learning |
Atomistic |
|
Yihui Tong |
5 |
Developing the capability to forecast extreme Space Weather events |
Continuum |
|
Valdas Vitartas |
5 |
Machine-learning quantum surrogate models to simulate energy transport across interfaces |
Quantum |
|
YC Wong |
5 |
Machine Learning Multiscale Simulation Of Photoconductivity In Correlated Oxides |
Quantum |
|
David Bewicke |
6 |
Modelling magnetosphere-atmosphere interactions |
Continuum |
|
Facundo Costa |
6 |
Machine Learning Potentials for Strength Studies in Hexagonal Close Packed Materials |
Atomistic |
|
Maks Diakiewicz |
6 |
Artificial Intelligence driven multi-physics phase field fracture simulations for composites |
Continuum |
|
Luca Gasparro |
6 |
A Drug Delivery Challenge: Cracking the Code of Mass Transport in Disordered Systems |
Atomistic |
|
James Gulliford |
6 |
Fast simulation algorithms for correlated dynamics in superconducting films and epidemic models |
Quantum |
|
Swathi Mahashetti |
6 |
Unlocking Future Photovoltaics: the Effect of Interfaces on Ion Mobility in Perovskite Solar Cells |
Atomistic |
|
George McKay |
6 |
Learning Collective Dynamics from Accelerated Quantum Jump Monte Carlo |
Quantum |
|
Luca Seaford |
6 |
Atomistic insight into nucleation and electrochemistry: Machine learning multiscale simulation |
Quantum |
|
George Simmons |
6 |
Better-conditioned Inverse Problems in Computational Materials Science |
Atomistic |
|
Rumesh Sudhaharan |
6 |
Frozen In:Predicting Microstruture in Solidifying Droplets |
Continuum |
|
Keyi Wei |
6 |
DRUG-THE-BUG: Determining druggable binding sites in bacterial membrane proteins |
Atomistic |
|
Sean Wu |
6 |
Pushing the boundaries of resolution of biological objects by electron microscopy with GPU-enhanced ptychography |
Atomistic |
|
Jasper Allen |
7 |
A picture worth a thousand atoms: 2D image to 3D nanostructure mapping by merging simulated and measured data |
Atomistic |
|
Lucas Belz-Koeling |
7 |
Machine learning of energy barriers for reaction network discovery of drug-like molecules |
Quantum |
|
Archie Brew |
7 |
Development of DFT methods to study atomic structure and pressure effects in f- electron materials |
Quantum |
|
Stephan Gambert |
7 |
Programmable fluids: Continuum models for designing multi-stable meta-fluids |
Continuum |
|
Tristan McCarthy |
7 |
Atomic-Level Defect Characterisation via Data Fusion: Integrating Ptychography, EELS and First Principles Calculations |
Atomistic |
|
Peter Noordman |
7 |
PhonIon: Modelling ultrafast THz pump-X-ray probe spectroscopies for ion dynamics in batteries |
Quantum |
|
Anton Oleinik |
7 |
Modelling interfacial flows in porous media: a hybrid asymptotic-computational approach |
Continuum |
|
Sindi Semanaj |
7 |
AMPLIFY: Advancing Membrane Protein Learning for Improved Factorial Yield |
Atomistic |