146 citations · 167 across the 7 of their papers we have counts for
7 papers
CSPBench: a benchmark and critical evaluation of Crystal Structure Prediction
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong +6
Crystal structure prediction (CSP) is now increasingly used in discovering novel materials with applications in diverse industries. However, despite decades of developments and sig…
Crystal Transformer: Self-learning neural language model for Generative and Tinkering Design of Materials
Lai Wei, Qinyang Li, Yuqi Song +4
Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic…
TCSP: a Template based crystal structure prediction algorithm and web server for materials discovery
Lai Wei, Nihang Fu, Edirisuriya M. D. Siriwardane +5
Fast and accurate crystal structure prediction (CSP) algorithms and web servers are highly desirable for exploring and discovering new materials out of the infinite design space. H…
MaterialsAtlas.org: A Materials Informatics Web App Platform for Materials Discovery and Survey of State-of-the-Art
Jianjun Hu, Stanislav Stefanov, Yuqi Song +4
The availability and easy access of large scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for mat…
High-throughput discovery of novel cubic crystal materials using deep generative neural networks
Yong Zhao, Mohammed Al-Fahdi, Ming Hu +4
High-throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of quan…
AlphaCrystal: Contact map based crystal structure prediction using deep learning
Jianjun Hu, Yong Zhao, Qin Li +4
Crystal structure prediction is one of the major unsolved problems in materials science. Traditionally, this problem is formulated as a global optimization problem for which global…
Contact Map based Crystal Structure Prediction using Global Optimization
Jianjun Hu, Wenhui Yang, Rongzhi Dong +3
Crystal structure prediction is now playing an increasingly important role in discovery of new materials. Global optimization methods such as genetic algorithms (GA) and particle s…