This work integrates areas of computational geometry, information geometry, and mathematical chemistry with the goal to translate mathematical principles into practical chemical applications, facilitating the computational design of novel materials through purely geometric modelling.
Crystallization via Electrostatic Interactions in Molecular Framework Geometries with G. M. Day (University of Southampton) and A. I. Cooper (University of Liverpool)
Integral Formulae for Solutions of PDEs with Constant Coefficients and Their Integrability with R. Púček (University of Jena)
Geometry-Informed Programming: From Statistical Manifolds to Close-Packings of Hard van der Waals Sphere Models with A. I Cooper (University of Liverpool), X. Evangelopoulos (University of Liverpool) and V. Kurlin (University of Liverpool)
Exploring the Duality between Geometric Networks and Stochastic Learning Machines through the Lens of the Crystallisation Conjecture with R. Púček (University of Jena)
Seriation fusion from multiple local and complete orderings with X. Evangelopoulos (Univeristy of Liverpool) and T. Mu (University of Manchester)