Researchers at Lawrence Livermore National Laboratory (LLNL) have developed a new approach that combines generative artificial intelligence (AI) and first-principles simulations to predict three-dimensional atomic structures of highly complex materials.
This research highlights LLNL’s efforts in advancing machine learning for materials science research and supporting the Lab’s mission to develop innovative technological solutions for energy and sustainability.
The study, recently published in Machine Learning: Science and Technology, represents a potential leap forward in the application of AI for materials characterization and inverse design.
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