Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale applications. Owing ...

The world is currently undergoing an AI revolution that is having profound effects on science and society, brought about by the integration of predictive models. The foundational AI models driving ...

CDVAE, a symmetry-aware generative AI framework that embeds space-group information into the generation of crystal structures ...

Across modern data-intensive disciplines, the union of numerical computation, statistics, and machine learning has become ...