A multicolored computer silicon wafer close-up shot.

May issue now live!

Our May issue includes a Perspective on computational frameworks for semiconductor discovery, a database for structure-based drug discovery, and an algorithm to uncover laws of skill acquisition.


  • A depiction of the brain using neurons and computing hardware.

    In this cross-journal collection, we aim to bring together cutting-edge research on neuromorphic architectures and hardware, computing, and algorithms, as well as related applications. We also invite commentaries from experts in the field.

    Open for submissions
  • A physical, real city overlaid with a representation of a digital city, which includes three-dimensional depictions of buildings.

    There has been a growing interest and enthusiasm in using digital twins to accelerate scientific discovery and to help researchers and stakeholders with critical decision-making tasks. Check out our Focus that highlights the state of the art, challenges, and opportunities in the development and use of digital twins across different domains.

  • An image that echoes the SDG logo and integrates the idea of analysis of data from the various goals.

    The year 2023 marks the mid-point of the 15-year period envisaged to achieve the Sustainable Development Goals. In this Nature Portfolio Collection, you will find studies across different journals that assess progress or that showcase interventions that have made a difference. We also welcome submissions of studies framed in a similar way.

    Open for submissions

Nature Computational Science is a Transformative Journal; authors can publish using the traditional publishing route OR via immediate gold Open Access.

Our Open Access option complies with funder and institutional requirements.


  • Nonlinear optical computations have been essential yet challenging for developing optical neural networks with appreciable expressivity. In this paper, light scattering is combined with optical nonlinearity to empower a high-performance, large-scale nonlinear photonic neural system.

    • Hao Wang
    • Jianqi Hu
    • Sylvain Gigan
  • Seqwalk is a scalable method for designing orthogonal DNA barcode libraries, producing one million barcodes in 20 s on a standard laptop.

    • Gokul Gowri
    • Kuanwei Sheng
    • Peng Yin
    Brief CommunicationOpen Access
  • The authors develop the tool RESHAPE to share reference panels in a safer way. The genome–phenome links in reference panels can generate re-identification threats and RESHAPE breaks these links by shuffling haplotypes while preserving imputation accuracy.

    • Théo Cavinato
    • Simone Rubinacci
    • Olivier Delaneau
    ArticleOpen Access
  • As machine learning models are becoming mainstream tools for molecular and materials research, there is an urgent need to improve the nature, quality, and accessibility of atomistic data. In turn, there are opportunities for a new generation of generally applicable datasets and distillable models.

    • Chiheb Ben Mahmoud
    • John L. A. Gardner
    • Volker L. Deringer
  • Morphing soft matter, which is capable of changing its shape and function in response to stimuli, has wide-ranging applications in robotics, medicine and biology. Recently, computational models have accelerated its development. Here, we highlight advances and challenges in developing computational techniques, and explore the potential applications enabled by such models.

    • Yifan Yang
    • Fan Xu
  • Dr Kelly Ruggles, associate professor at New York University Langone Health, discusses with Nature Computational Science how she uses computational approaches to gain insights into cancer, inflammation and cardiovascular disease, as well as the importance of mentorship.

    • Ananya Rastogi
  • We highlight the vibrant discussions on quantum computing and quantum algorithms that took place at the 2024 American Physical Society March Meeting and invite submissions that notably drive the field of quantum information science forward.