Our work on establishing baselines for the generative design of inorganic crystalline materials is now available in Materials Horizons. This research provides fundamental benchmarks for evaluating generative models in materials science and demonstrates new approaches for constrained crystal structure generation.
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Our work on leveraging topology as a new descriptor for structure and bonding is now available in ACS Materials Letters. We demonstrate how topological analysis of electron density can provide insights into materials properties that complement traditional bonding analysis methods.
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Our perspective on computational methods for synthesis planning was recently published in ACS Energy Letters. The article reviews current approaches and outlines future directions for integrating computational tools into materials synthesis workflows.
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