Posts by Collection

Investigating the repulsive behaviour of topological atoms under compression

Testing the consistency of machine learning models in quantum chemistry
{Python, Gaussian, bash, high performance computing}

Using transfer learning to detect illnesses in the brain

Developing transfer learning models to detect tumours in 3D images of the brain
{Python, PyTorch, Numpy, tcsh, high performance computing}

Simulating neutrino detection events with GANs

Using generative models to simulate light detection in liquid argon time projection chambers
{Python, Tensorflow/Keras, bash}

Markov chain Monte Carlo extensions of the Ising model

Creating extensions of magnetic spin models, including the 2D XY and 3D Heisenberg models
{Python, Numpy}

ROOT analysis of Monte Carlo particle physics simulations with ATLAS OpenData

Analysed simulated and real data of particle physics collisions using C++ with ROOT
{C++, ROOT}

Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?

Published in ChemistryOpen, 2019

Investigating the change in energetics (due to steric effects) of topological atoms due to multi-directional compression.

B. C. B. Symons, D. J. Williamson, C. M. Brooks, A. L. Wilson, P. L. A. Popelier (2019). Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy? ChemistryOpen. [BIB] [PDF]