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Technology2h 25m ago

An artificial intelligence model developed by a Swiss team can predict and fill in missing or incorrectly placed atoms, such as hydrogen, in the crystal structures of inorganic materials.

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Switzerland

Who
Timo Reents (PSI Centre for Scientific Computing, Theory and Data), Swiss team, Artem Oganov (Skolkovo Institute of Science and Technology), Pierre-Paul De Breuck (Ruhr-Universität Bochum)
What
An artificial intelligence model developed by a Swiss team can predict and fill in missing or incorrectly placed atoms, such as hydrogen, in the crystal structures of inorganic materials.
When
Fri, 19 Jun 2026 08:48:45 GMT · 2h 25m ago
Where
Switzerland ·
Why
The model addresses the challenge of accurately determining the positions of light atoms in crystalline materials, which scatter x-rays weakly, to enable better material simulation and design.
The Frontline Impact

How this affects you

Refining atomic positions with this AI model may improve existing structural databases and facilitate the design of new materials, including superconductors, by providing accurate atomic configurations.

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