192 citations · 201 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023★ 9 cited
WyCryst: Wyckoff Inorganic Crystal Generator Framework
Ruiming Zhu, Wei Nong, Shuya Yamazaki +1
Generative design marks a significant data-driven advancement in the exploration of novel inorganic materials, which entails learning the symmetry equivalent to the crystal structu…
physics.comp-ph2020★ 192 cited
An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
Zekun Ren, Siyu Isaac Parker Tian, Juhwan Noh +14
Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limite…