41 citations · 44 across the 7 of their papers we have counts for
3 papers · 1 filter
Generative design of inorganic materials
Jose Recatala-Gomez, Haiwen Dai, Zhu Ruiming +9
Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are ef…
Wyckoff Transformer: Generation of Symmetric Crystals
Nikita Kazeev, Wei Nong, Ignat Romanov +4
Crystal symmetry plays a fundamental role in determining its physical, chemical, and electronic properties such as electrical and thermal conductivity, optical and polarization beh…
Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets
Pengru Huang, Ruslan luckin, Maxim Faleev +7
Modification of physical properties of materials and design of materials with on-demand characteristics is at the heart of modern technology. Rare application relies on pure materi…