252 citations · 266 across the 5 of their papers we have counts for
4 papers · 1 filter
A Continuous Action Space Tree search for INverse desiGn (CASTING) Framework for Materials Discovery
Suvo Banik, Troy Loefller, Sukriti Manna +5
Fast and accurate prediction of optimal crystal structure, topology, and microstructures is important for accelerating the design and discovery of new materials. A challenge lies i…
Atomistic Evidence of Nucleation Mechanism for the Direct Graphite-to-Diamond Transformation
Duan Luo, Liuxiang Yang, Hongxian Xie +7
The direct graphite-to-diamond transformation mechanism has been a subject of intense study and remains debated concerning the initial stages of the conversion, the intermediate ph…
Lonsdaleite: The diamond with optimized bond lengths and enhanced hardness
Liuxiang Yang, Kah Chun Lau, Zhidan Zeng +12
Diamond is known as the hardest substance due to its ultra-strong tetrahedral sp3 carbon bonding framework. The only weak link is its cubic cleavage planes between (111) buckled ho…
Machine Learning the Metastable Phase Diagram of Materials
Srilok Srinivasan, Rohit Batra, Duan Luo +8
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram…