This is a heavily interactive web application, and JavaScript is required. Simple HTML interfaces are possible, but that is not what this is.
Post
Aron ⇋ e⁻
aronwalsh.github.io
did:plc:attf35twdliz775dorg4y3z6
Point defects in crystals act as molecules with distinct local structures & excitations. Following “Imperfections are not 0 K" https://doi.org/10.1039/D3CS00432E, Irea has trained ML force fields to explore the impact of temperature on defect thermodynamics
#CompChem preprint at: arxiv.org/abs/2412.16741
2025-01-02T10:09:10.052Z