2 papers
cond-mat.mtrl-sci2025
Materials discovery acceleration by using condition generative methodology
Caiyuan Ye, Yuzhi Wang, Xintian Xie +10
With the rapid advancement of AI technologies, generative models have been increasingly employed in the exploration of novel materials. By integrating traditional computational app…
cond-mat.mtrl-sci2025
Machine Learning on Multiple Topological Materials Datasets
Yuqing He, Pierre-Paul De Breuck, Hongming Weng +2
A dataset of 35,608 materials with their topological properties is constructed by combining the density functional theory (DFT) results of Materiae and the Topological Materials Da…