Prediction of two-dimensional materials by the global optimization approach

Crystal structure prediction is one of the most fundamental challenges in the physics and chemistry sciences. In recent years, this problem has gained much practical success by the global optimization approach. Here, we survey some recent progress in finding the global minimum of two-dimensional (2D) materials, and introduce some details of these global optimization approach. Then, we will give some typical examples to demonstrate their advantages for 2D crystal structure prediction. Finally, the future directions and challenges are briefly discussed. (C) 2016 John Wiley & Sons, Ltd