News
-
Exploration of crystal chemical space using text-guided generative artificial intelligence
A research team of Hyunsoo Park, Anthony Onwuli and Aron Walsh from the Department of Materials, Imperial College London have developed Chemeleon, an AI model that generates crystal structures from […]
-
Interpolating numerically exact many-body wave functions for accelerated molecular dynamics
The wave function contains all the information about the electrons in chemical systems. In this work, this quantum variable is interpolated through the space of chemical trajectories, allowing us to […]
-
Structure and Migration Mechanisms of Oxygen Interstitial Defects in β-Ga₂O₃
Gallium oxide (β-Ga₂O₃) has emerged as a promising material for next-generation electronic applications, including power devices and photodetectors. However, the presence of crystal defects, particularly oxygen interstitials (Oi), can significantly […]