HetSys CDT Thesis Library

2024-25: 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

2023-24: 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/