Articles in 2024

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  • We highlight the challenges and opportunities in organic redox flow battery research, underscoring the need for collaborative research efforts. The synergy between computation and experimentation holds the potential to expedite progress in this field and can have far-reaching impacts beyond energy storage applications.

    • Yang Cao
    • Alán Aspuru-Guzik
    Comment
  • One of the greatest limitations of deep neural networks is the difficulty of interpreting what they learn from the data. Deep distilling addresses this problem by extracting human-comprehensible and executable code from observations.

    • Joseph Bakarji
    News & Views
  • Automated algorithm discovery has been difficult for artificial intelligence given the immense search space of possible functions. Here explainable neural networks are used to discover algorithms that outperform those designed by humans.

    • Paul J. Blazek
    • Kesavan Venkatesh
    • Milo M. Lin
    Article
  • The authors introduce two cellular barcoding tools: CellBarcode, for extracting and filtering diverse DNA barcodes from bulk and single-cell sequencing data; and CellBarcodeSim, for simulating barcoding experiments, thus enabling the investigation of the impact of biological and technical factors on barcode detection.

    • Wenjie Sun
    • Meghan Perkins
    • Anne-Marie Lyne
    ResourceOpen Access
  • A method for correcting errors in the spatial-genetic reconstruction of DNA microscopy is proposed, leading to more accurate results and potential to resolve new biology.

    • Joshua Weinstein
    News & Views
  • We continue our yearly tradition of highlighting our favorite cover suggestions that did not make it as covers at Nature Computational Science.

    Editorial
  • Language models offer promises in encoding quantum correlations and learning complex quantum states. This Perspective discusses the advantages of employing language models in quantum simulation, explores recent model developments, and offers insights into opportunities for realizing scalable and accurate quantum simulation.

    • Roger G. Melko
    • Juan Carrasquilla
    Perspective
  • The laws of physics, formulated in a compact form, are elusive for complex dynamic phenomena. However, it is now shown that, using artificial intelligence constrained by the physical Onsager principle, a custom thermodynamic description of a complex system can be constructed from the observation of its dynamical behavior.

    Research Briefing