Discovery of new materials with desired properties is not easy, ask any alchemist. Meta (formerly, Facebook), often bashed for cashing-in on data, has now given a meta gift to mankind: tomes of data — for research into functional (meta) materials. This data can help scientists combine different materials with different desired properties to create something new. All this was calculated using ‘density functional theory’, a quantum mechanics-based method for predicting material properties . FAIR scientists took over 400 million core-hours of computing to get the data of 118 million structures labelled with total energy, forces and cell stress.

Source: The Hindu October 20, 2024 18:25 UTC