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Categories
All (5)
T-matrix (1)
academic (5)
global optimisation (1)
melting (1)
molecular dynamics (2)
nanoalloys (1)
nanofluidics (1)
quantum chemistry (1)
superatoms (1)

Projects

Here you will find links to some of my currently ongoing projects on GitHub, followed by a listing of past (mostly academic) work with links to retrospective summaries.

In progress

  • Data gathering, analysis, and modelling of carbon market price dynamics. See repo and web-app deployed on AWS.

  • Preliminary modelling and interactive calculation of carbon units earned from forestry in the NZ-ETS. See repo and Jupyter notebook deployed on Binder.

  • Python implementation of an agent-based model of a minimal market-based economy developed by Steilgitz et al., with various extensions including emissions trading.

  • Preliminary exploration of the public Crash Analysis System (CAS) data for New Zealand. See GitHub repo for details.

Past work

T-matrix calculations

Developing and testing custom software for T-matrix calculations of light scattering by assemblies of particles, using Fortran and Python.

Nanoalloys structure prediction

Developing, benchmarking, and applying global optimisation algorithms for theoretical structure prediction of mixed metal clusters.

Gallium superatoms

Looking for evidence of atomic-like orbitals and electron shell structure in metalloid gallium clusters, using quantum chemistry methods.

Nanoscale capillary action

Explaining unexpected capillary absorption of metal nanodroplets, using molecular dynamics simulation and thermodynamic modelling.

Melting of nanoparticles

Shedding new light on the melting behavior of metal nanoparticles, using molecular dynamics simulation and thermodynamic modelling.

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