2 papers
cond-mat.mtrl-sci2025
Artificial Intelligence Driven Workflow for Accelerating Design of Novel Photosensitizers
Hongyi Wang, Xiuli Zheng, Weimin Liu +2
The discovery of high-performance photosensitizers has long been hindered by the time-consuming and resource-intensive nature of traditional trial-and-error approaches. Here, we pr…
cond-mat.mtrl-sci2024
CrysToGraph: A Comprehensive Predictive Model for Crystal Materials Properties and the Benchmark
Hongyi Wang, Ji Sun, Jinzhe Liang +7
The ionic bonding across the lattice and ordered microscopic structures endow crystals with unique symmetry and determine their macroscopic properties. Unconventional crystals, in…