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Towards end-to-end structure determination from x-ray diffraction data using...

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Bayesian optimization acquisition functions for accelerated search of cluster...

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A new method for identifying elastic parameters of isotropic materials based...

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Deep learning for symmetry classification using sparse 3D electron density...

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Hydrogen adsorption on fcc metal surfaces towards the rational design of...

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Machine learning driven performance for hole transport layer free...

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Learning grain boundary segregation behavior through fingerprinting complex...

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Investigating screw-agitator speed ratio impact on feeding performance in...

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Role of grain-level chemo-mechanics in composite cathode degradation of...

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Comparative study on structural, morphological, and optical properties of...

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Influence of hydrogen on the elastic properties and dislocation behavior in...

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Super-resolution techniques to simulate electronic spectra of large molecular...

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Interplay between disorder and electronic correlations in compositionally...

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Accelerating multiscale electronic stopping power predictions with...

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Towards the holistic design of alloys with large language models

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Chemical-motif characterization of short-range order with E(3)-equivariant...

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Toward direct band gaps in typical 2D transition-metal dichalcogenides...

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Hidden magnetism and split off flat bands in the insulator metal transition...

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Unconventional spin textures emerging from a universal symmetry theory of...

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Data-driven modeling of dislocation mobility from atomistics using...

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