HetSys CDT Thesis Library
2025 – Cohort 3
Anis, Geraldine: Dislocation dynamics in Ni-based superalloys.
https://wrap.warwick.ac.uk/200848/
Fakhoury, Ziad: Graph-driven sampling of protein folding pathway ensembles.
https://wrap.warwick.ac.uk/201497/
Holroyd, Oscar: Controlling infinite-dimensional nonlinear systems : application to falling liquid films.
https://wrap.warwick.ac.uk/200924/
Nutter, Matthew: Atomistic modelling of screw dislocation mobility in tungsten with data-driven potentials
https://wrap.warwick.ac.uk/202244/
Parrag, Matyas: Developing methods to enable high throughput, complex membrane protein simulation workflows.
https://wrap.warwick.ac.uk/201841/
Rocke, Thomas: Atomistic modelling of defects in indium phosphide with machine learning interatomic potentials.
https://wrap.warwick.ac.uk/201275/
Siddiqui, Anas: Machine-learned interatomic potentials for two-dimensional transition metal dichalcogenides and their heterostructures.
https://wrap.warwick.ac.uk/201603/
2024: Cohort 2
Connor Allen Stewart: From first principles to phase diagrams : modelling Ti and its alloys at extreme conditions.
http://wrap.warwick.ac.uk/190822
Iain Best: Uncertainty quantification with machine learning interatomic potentials using conformal prediction
https://wrap.warwick.ac.uk/id/eprint/191654/
Adam Fisher: Modelling the extraordinary strength of superalloys
Joe Gilkes: Chemical reaction discovery with Kinetica.JL : exploration and simulation of chemical degradation
https://wrap.warwick.ac.uk/id/eprint/191204/
Peter Lewin-Jones: Liquid drop impacts: when trapped gas nanofilms lead to bouncing
https://wrap.warwick.ac.uk/id/eprint/190189/
Tadashi Matsumoto: Statistical calibration of probabilistic numerical methods for parabolic PDE-constrained inverse problems
http://wrap.warwick.ac.uk/193886
Charlotte Rogerson: Investigation of the impact of equation of state models on inertial confinement fusion simulations
https://wrap.warwick.ac.uk/id/eprint/193506/
Lakshmi Shenoy: Modelling defects in iron and its alloys with machine-learned interatomic potentials
http://wrap.warwick.ac.uk/193395
Alisdair Soppitt: The statistics of reactive mixing in rough channels
James M. Targett:The effect of functionalisation on thermoelectric properties of molecular junctions
http://wrap.warwick.ac.uk/195832
2023: Cohort 1
Andrew Angus: Probabilistic modelling of stimulated raman back-scatter in laser direct-drive fusion plasmas at ignition scale
https://wrap.warwick.ac.uk/id/eprint/183094/
Katarina Blow: The role of kinetics, order parameters, and entropy in computing crystallisation rates
https://wrap.warwick.ac.uk/id/eprint/183095/
Matthew Harrison: Uncertainty quantification and propagation of hydraulic conductivity fields across scales and their effect on flow and solute transport
http://wrap.warwick.ac.uk/188415
Idil Ismail: Accelerating chemical reaction discovery using graph-driven searches and machine learning strategies.
https://wrap.warwick.ac.uk/id/eprint/186919/
Jingbang Liu: Fluctuating hydrodynamics of nanoscale thin films.
https://wrap.warwick.ac.uk/id/eprint/186571/Link opens in a new window
Carlo Maino: Machine learned potentials for theoretical spectroscopy of molecules in solvent
https://wrap.warwick.ac.uk/id/eprint/191961/
Aravinthen Rajkumar: Structure-property relations for block copolymers: a molecular data-driven approach
http://wrap.warwick.ac.uk/187331
Christopher Woodgate: Atomic arrangements in multicomponent alloys : first-principles theory, atomistic modelling, and implications for magnetic properties
https://wrap.warwick.ac.uk/id/eprint/183055/