2 papers
physics.comp-ph2024
Graph-based Descriptors for Condensed Matter
An Wang, Gabriele C. Sosso
Computational scientists have long been developing a diverse portfolio of methodologies to characterise condensed matter systems. Most of the descriptors resulting from these effor…
cond-mat.dis-nn2024
Graph-Based Feature Engineering to Predict the Dynamical Properties of Condensed Matter
An Wang, Gabriele C. Sosso
We present a graph theory-based method to characterise flow defects and structural shifts in condensed matter. We explore the connection between dynamical properties, particularly…