Science, there’s an algorithm that designs the green materials of the future

The new study, an algorithm capable of designing the green materials of the future, represents a potential turning point toward sustainability.

It is enough for him to know what atoms they consist of in order to accurately predict the structure and properties of substances greens for future planning. From clean energy batteries to low power computers, the mathematical algorithm is opening the way for more sustainable design than ever before.

The results of the study developed by a group ofBritish University of LiverpoolIt was published in the journal natures. The algorithm evaluates several possible structures simultaneously, thus speeding up the selection of the best solution. A huge advantage in terms of time, given that the search for new materials is a slow and complex process, since the same group of atoms can be assembled in thousands of different ways.

Moreover, materials of the future are likely to have structures different from those known today, and predicting a structure that we know nothing about is very challenging.

An algorithm to meet the future challenges of a sustainable society

He coordinated the researchers Matt Rosinski So they looked for a solution that would allow them to overcome these obstacles in discovering new materials.

The key to success, according to the study authors, was the collaboration between chemists and computer scientists. “Certainty in predicting structures now provides an opportunity to determine which materials can be made and which structures will adopt them, giving us for the first time the ability to build a platform for future technologies.”Rosseinsky Comments.

“With this new tool, we will be able to learn how to use those chemical elements that are widely available and begin to create materials to replace those based on rare or harmful elements. – the researcher adds – In addition to finding materials that perform better than the ones we rely on today, to meet the future challenges of a sustainable society.”.