537 citations · 600 across the 7 of their papers we have counts for
7 papers
Inorganic Crystal Structure Prototype Database based on Unsupervised Learning of Local Atomic Environments
Shulin Luo, Bangyu Xing, Muhammad Faizan +9
Recognition of structure prototypes from tremendous known inorganic crystal structures has been an important subject beneficial for material science research and new materials desi…
JAMIP: an artificial-intelligence aided data-driven infrastructure for computational materials informatics
Xin-Gang Zhao, Kun zhou, Bangyu Xing +13
Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design. It exploits the intelligent power of machine learning methods in ma…
Bismuth and Antimony Based Oxyhalides and Chalcohalides as Potential Optoelectronic Materials
Zhao Ran, Xinjiang Wang, Yuwei Li +5
In the last decade the ns cations (e.g., Pb and Sn) based halides have emerged as one of the most exciting new classes of optoelectronic materials, as exemplified…
Interlayer Coupling in Two-Dimensional Semiconductor Materials
Zhiming Shi, Xinjiang Wang, Yuanhui Sun +2
Two-dimensional (2D) graphene-like layered semiconductors provide a new platform for materials research because of their unique mechanical, electronic and optical attributes. Their…
Further improvement of lattice thermal conductivity from bulk crystalline to 1-D-chain polyethylene: A high-yet-finite thermal conductivity using first-principles calculation
Xinjiang Wang, Massoud Kaviany, Baoling Huang
We calculate the thermal conductivity (\k{appa}) of both bulk crystalline and single-chain polyethylene (PE) using the first-principles-based anharmonic lattice dynamics. Despite i…
Thermal conductivity of graphene mediated by strain and size
Youdi Kuang, Lucas Lindsay, Sanqiang Shi +3
Based on first-principles calculations and full iterative solution of the linearized Boltzmann-Peierls transport equation for phonons within three-phonon scattering framework, we c…