News Article

Abstract

The materials project – Database and toolbox for materials science So far, numerous databases have been built around the world that summarize a large number of physical and chemical properties, thermodynamical diagrams, crystal structures, and some other useful experimental and calculated data. It is extremely useful for checking and confirming various properties of known materials and, conversely, for discovering promising candidates for functions and properties of interest. Furthermore, one of the remarkable recent trends is employment of deep learning, which is known as the 3rd generation of artificial intelligence, to explore some knowledge and models using already stored big data and some optimized algorithms. The system also includes a platform for quantum mechanical calculation. The Materials Project, established in 2011 by Professor Kristin Persson of Lawrence Berkeley National Laboratory, is an open-access database. Anyone can register as a user and start using it for free of charge. More than 120,000 users have already registered. From the perspective of X-ray experts, the system should be very interesting, because it includes many experimentally collected X-ray absorption spectra, the crystal structure data, and the related quantum mechanical calculation data. The total number of the registered data exceeds 500,000; X-ray spectra and crystal structure data are nearly 20% and 35%, respectively, and others are more theoretical data, such as the density of states, the bond structures and so forth. The Materials Project organizes seminars and annual workshop as well. All of the archives are available on its Youtube site (https://www.youtube.com/c/MaterialsProject). For further information, visit the following page, https://materialsproject.org/