Automated calculation of surface properties in crystals

Researchers at the University of Oldenburg have created a novel automated method for calculating the surface properties of crystals directly from first principles, focusing on physics’ fundamental laws. This development could significantly speed up the search for new materials across various technologies, including photovoltaics, batteries, and data transmission. By planning to integrate this method with AI and machine learning, the researchers aim to further enhance the efficiency of discovering materials, particularly for energy sector applications. You can read more about this advancement on Nanowerk:

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