Nature Computational Science

Nature Computational Science is a multidisciplinary journal that focuses on the development and use of computational techniques and mathematical models, as well as their application to address complex problems across a range of scientific disciplines. The journal publishes both fundamental and applied research, from groundbreaking algorithms, tools and frameworks that notably help to advance scientific research, to methodologies that use computing capabilities in novel ways to find new insights and solve challenging real-world problems. By doing so, the journal creates a unique environment to bring together different disciplines to discuss the latest advances in computational science.   Disciplines covered by Nature Computational Science include, but are not limited to:

• Bioinformatics
• Cheminformatics
• Geoinformatics
• Climate Modeling and Simulation
• Computational Physics and Cosmology
• Applied Math
• Materials Science
• Urban Science and Technology
• Scientific Computing
• Methods, Tools and Platforms for Computational Science
• Visualization and Virtual Reality for Computational Science

Nature Computational Science is committed to publishing significant, high-quality research through a fair and rigorous peer-review process that is overseen by a team of full-time professional editors.

Intuitive enzyme design with LLM agents

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Computational active materials and embodied intelligence in extreme conditions

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Reproducibility in the era of large language models

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Algorithmic systems, human agency and the future of platform research

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Large language models as human proxies

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Revisiting molecular descriptors with TDiMS for interpretable intramolecular interactions based on substructure pairs

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Deep learning models enable high-performance, real-time emotion decoding from intracranial brain activity

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When pathology segmentation learns to listen

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