Here’s a brief overview of my academic career, broken up into things I’ve published, places I’ve studied and conferences I’ve attended.

Publications :

  • Equilibrium Conformational Ensemble of the Intrinsically Disordered Peptide n16N: Linking subdomain structures and function - Biomacromolecules 2014, 15 (12), 4467-4479. doi:10.1021/bm501263s
  • An Improved TIGER2 Implementation for NAMD Suitable for the Blue Gene Architecture - Comp. Phys. Comm. 2015, 192, 278–281 doi:10.1016/j.cpc.2015.02.025
  • Testing the transferability of a coarse-grained model to intrinsically disordered proteins - GO Rutter, AH Brown, D Quigley, TR Walsh, MP Allen - Physical Chemistry Chemical Physics 17 (47), 31741-31749
  • Elucidating the influence of polymorph-dependent interfacial solvent structuring at chitin surfaces - Carbohydrate Polymers 2016, 151, 916–925 doi:10.1016/j.carbpol.2016.05.116
  • Emergence of order in self-assembly of the intrinsically disordered biomineralisation peptide n16N - Molecular Simulation Vol. 0 , Iss. 0,0, doi:10.1080/08927022.2017.1405158

Conferences Attended:

  • MRS Fall meeting 2014 - Oral presentation - Abstract E1.03
  • Lorne Proteins 2014 - Poster Presentation
  • Melbourne Molecular Modellers Meeting 2014 - Poster presentation -
  • MRS Fall meeting 2013 - Oral presentation - Abstract A5.09
  • Australian Society for Biophysics 2013 - Oral Presentation -
  • Statistical Mechanics of Soft Matter - Oral Presentation -
  • Lorne Proteins 2013 - Poster Presentation



Title: MD Simulation of N16n, an aragonite stabilising peptide

Thesis: Deakin Research Online

Supervisor: Prof. Tiff Walsh. Prof. Mark Rodger

Details: N16n is a peptide found in the shells of the Japanese pearl oyster where it is used to form the fracture resistant Nacre layer made of aragonite slabs. Despite experimental work undertaken by other groups, such as that of John Evans at NYU, little is known about how or why this peptide stabilises the formation of aragonite. The project consists around simulating a n16n under various conditions to understand the nature of this process.

This work was also featured in Channel Ten’s children’s science program “Scope” episode 164 - “Biomimicry”, the work features from about 4 minutes into the program, and can be watch here.

MSc Project

Title : Modelling of Frustrated Spin systems using Monte-Carlo simulation.

Supervisor: Prof. M.P. Allen

Details: The aim of this project was to explain the interesting time- and field-dependant behaviour of Ca3Co2O6. When placed in a increasing magnetic field steps are seen in the magnetisation of the crystal, the number of which is dependant on the rate at which the field was varied. During the project I wrote a number of Monte-Carlo methods to model this system using a simple Ising model on a stacked triangular lattice, the methods I coded included, Wang-Landau, Replica Exchange, Wolff Clustering and standard Metropolis Monte-Carlo.