Enda Xiao

collaborators

2 papers

cond-mat.mtrl-sci2025

Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO $_{2}$ and UO $_{2}$

Shuxiang Zhou, Chao Jiang, Enda Xiao +6

The accuracy of classical physical property predictions using molecular dynamics simulations is determined by the quality of the interatomic potentials. Here we introduce a trainin…

cond-mat.mtrl-sci2024

Phonon thermal transport in UO $_{2}$ via self-consistent perturbation theory

Shuxiang Zhou, Enda Xiao, Hao Ma +5

Computing thermal transport from first-principles in UO $_{2}$ is complicated due to the challenges associated with Mott physics. Here we use irreducible derivative approaches to comp…

Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO2​ and UO2​

Phonon thermal transport in UO2​ via self-consistent perturbation theory

Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO $_{2}$ and UO $_{2}$

Phonon thermal transport in UO $_{2}$ via self-consistent perturbation theory