1. International Center for Computational Method & Software, College of Physics, Jilin University, Changchun 130012, China 2. State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China 3. Center for Green Research on Energy and Environmental Materials (GREEN) and International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan 4. College of Materials Science and Engineering, Zhejiang University of Technology, Hangzhou 310014, China 5. International Center of Future Science, Jilin University, Changchun 130012, China
The dimensionality of structures allows materials to be classified into zero-, one-, two-, and threedimensional systems. Two-dimensional (2D) systems have attracted a great deal of attention and typically include surfaces, interfaces, and layered materials. Due to their varied properties, 2D systems hold promise for applications such as electronics, optoelectronics, magnetronics, and valleytronics. The design of 2D systems is an area of intensive research because of the rapid development of ab initiostructure-searching methods. In this paper, we highlight recent research progress on accelerating the design of 2D systems using the CALYPSO methodology. Challenges and perspectives for future developments in 2D structure prediction methods are also presented.
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