1 citations · 1 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2026
Accelerated Inorganic Electrides Discovery by Generative Models and Hierarchical Screening
Shuo Tao, Qiang Zhu
Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work…
cond-mat.mtrl-sci2024
Automated High-throughput Organic Crystal Structure Prediction via Population-based Sampling
Qiang Zhu, Shinnosuke Hattori
With advancements in computational molecular modeling and powerful structure search methods, it is now possible to systematically screen crystal structures for small organic molecu…
cond-mat.mtrl-sci2024★ 1 cited
Study of Entropy-Driven Polymorphic Stability for Aspirin Using Accurate Neural Network Interatomic Potential
Shinnosuke Hattori, Qiang Zhu
In this study, we present a systematic computational investigation to analyze the long debated crystal stability of two well known aspirin polymorphs, labeled as Form I and Form II…