Aarhus Universitets segl

New center publication - Mie Andersen

Researchers from Aarhus and Berlin have developed a new algorithm that can teach computers to predict how complex molecules will bind to the surface of catalysts.

Molecule Tetris

Researchers from Aarhus and Berlin have developed a new algorithm that can teach computers to predict how complex molecules will bind to the surface of catalysts. This is important when you have to produce synthetic fuels, for example. And it’s almost like playing extreme Tetris.

The researchers from Aarhus University and the Fritz Haber Institute in Berlin have developed a machine-learning algorithm that can teach computers to predict how molecules will bind to the surface and how strongly they will bind.

The results have recently been published in the journal Nature Computational Science. See article

Press release