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Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

  • Advances in artificial intelligence (AI) are driving new discoveries in natural sciences by enhancing our understanding of natural phenomena across various scales.
  • AI for science (AI4Science) is an emerging interdisciplinary research paradigm focused on applying AI to natural sciences.
  • This work provides a detailed account of AI for quantum, atomistic, and continuum systems, aiming to understand phenomena across different scales.
  • The subareas of quantum, atomistic, and continuum systems share common challenges, such as capturing physics first principles using deep learning methods.
  • Techniques to achieve equivariance to symmetry transformations and address technical challenges like explainability and uncertainty quantification are discussed.
  • Resources for learning and education in AI for science are categorized to facilitate further understanding and community interest in the field.

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