Machine learning predicted a superhard and high-energy-density tungsten nitride
Wednesday, July 18, 2018 - 05:10
in Physics & Chemistry
Although machine learning has been successful in many aspects, its application in crystal structure predictions and materials design is still under development. Recently, Prof. Jian Sun's group at the Department of Physics, Nanjing University, implemented a machine-learning algorithm into the crystal structure search method. They used a machine learning algorithm to describe the potential energy surface and used it to filter the crystal structures, enhancing the search efficiency of crystal structure prediction.