2 papers
cond-mat.mtrl-sci2024
Discovery of 2D Materials via Symmetry-Constrained Diffusion Model
Shihang Xu, Shibing Chu, Rami Mrad +4
Generative model for 2D materials has shown significant promise in accelerating the material discovery process. The stability and performance of these materials are strongly influe…
cs.AI2024
Generative Design of Crystal Structures by Point Cloud Representations and Diffusion Model
Zhelin Li, Rami Mrad, Runxian Jiao +4
Efficiently generating energetically stable crystal structures has long been a challenge in material design, primarily due to the immense arrangement of atoms in a crystal lattice.…