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Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Louvain-la-Neuve, WEL Research Institute
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Generative models can now propose targeted materials candidates by effectively integrating diverse data modalities and enforcing physical constraints throughout the design process.
Forget computationally verifying stability – VibroML automatically *fixes* dynamically unstable crystal structures, opening the door to exploring previously inaccessible materials.