Nature Computational Science 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 main goal of the journal is to foster multidisciplinary research and the cross-disciplinary application of new computational techniques.

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AI agent helps identify material properties faster

Efficient analysis of X-ray diffraction data (XRD) plays a crucial role in the discovery of new materials, for example for the energy systems of the future. It is used to analyze the crystal structures of new materials in ...

Simulating evolution to understand a hidden switch

Computer simulations of cells evolving over tens of thousands of generations reveal why some organisms retain a disused switch mechanism that turns on under severe stress, changing some of their characteristics. Maintaining ...