HetSys: Students

	Student	Cohort	Project Title	Area of Research
Image to be uploaded	Dylan Morgan	3	Simulating Surface Spectroscopy of Single Atom Magnets and Catalysts	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 Plungė	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 Gambart	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