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Altermagnetic perovskites

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Inverse catalysts: tuning the composition and structure of oxide clusters...

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Systematic softening in universal machine learning interatomic potentials

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Magnetic anisotropy of 4f atoms on a WSe2 monolayer: a DFT + U study

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Accelerating phase field simulations through a hybrid adaptive Fourier neural...

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A roadmap from the bond strength to the grain-boundary energies and macro...

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Excitons in nonlinear optical responses: shift current in MoS2 and GeS...

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The design space of E(3)-equivariant atom-centred interatomic potentials

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Spontaneous curvature in two-dimensional van der Waals heterostructures

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A generative model for inorganic materials design

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Elf autoencoder for unsupervised exploration of flat-band materials using...

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Coupling between topological edge state and defect mode-based biosensor using...

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Accelerating materials property prediction via a hybrid Transformer Graph...

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Study on the constitutive model and thermal deformation behavior of...

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Analysis of the defect mode features in an asymmetric and symmetric acoustic...

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New insights into structural, optical, electrical and thermoelectric behavior...

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Anomalous entropy-driven kinetics of dislocation nucleation

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A non-associated constitutive model based on yld2004-18p yield criterion and...

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First-principles study of structural, elastic, electronic, transport...

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Active learning framework to optimize process parameters for...

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