A selection of titles of past projects from the MPhil in Scientific Computing are given below. The titles are separated into Atomistic stream and Continuum stream.
Atomistic Stream
A selection of Atomistic stream past project titles |
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Beyond density functionals into SIESTA for systems with electron localisation |
Externally corrected multi-reference coupled-cluster Monte Carlo from Full Configuration Interaction Quantum |
From Hamiltonians to phase diagrams in practice: Free energy calculations with machine-learned interatomic potentials |
Inverse Design of Crystal Structures via Generative Modelling |
K-means landscapes for gene expression datasets |
Lattice dynamics in layered perovskites |
Modelling of solvent mixtures and casting of ionomer thin films |
Optimal Importance Sampling in Quantum Monte Carlo for Lattice Models |
Reconstructing Scattering Length Density Profiles from Neutron Reflectivity Spectra via the MaxEnt method: The Inversion Problem |
The Energy Landscape of TDP-43: Insight into Mutations and Phase Separation |
The role of point defects in the electronic structure of halide perovskites |
Understanding the salt dissolution process by machine learning |
Continuum Stream
A selection of Continuum stream past project titles |
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An all Mach number approach for multi-physics MHD simulations |
Cavitation of ultrasonically excited droplets |
Derivation of a Cavitation Model in a 2-D Finite Area Formulation |
Development of the Unified Solidification Model |
Explicit and IMEX comparison for Euler equations on CPUs and GPUs |
IMEX schemes for low speed plasma-substrate interaction |
Implementation of a GPU-accelerated Lagrangian tracker to analyze complex gaseous detonation waves |
Implementation of Eddy Viscosity Turbulence Models for Incompressible Flows |
Implicit Density-Based Solver for Compressible Flows |
Magneto-Hydrodynamic Instability in a Liquid Metal Battery |
Multi-physics modelling of high energy beam-driven ablation of materials |
Multiphysics simulations of hypersonic flows |
Numerical simulations of energetic events within a magnetic field |
Numerical simulation of skipping stones |
Optimisation of Beam Shape for Geothermal Drilling |
Predictive multiscale modelling of pharmaceutical powder formulations: finite element simulations of elastic/plastic binary mixtures |
Resistive models for magnetically confined fusion simulations |
Simulations of Aircraft Lightning Protection Systems |
Simulation of Instabilities in Tokamak Reactors |
Towards an Efficient, Multi-Wavenumber Model of Highly Stratified Turbulence |
Whole system simulation of ocean-atmosphere dynamics |