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Magnetic order and critical temperature of substitutionally doped transition...

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Highly stable two-dimensional metal-carbon monolayer with interpenetrating...

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Large-scale transport simulation by deep learning

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Decoding defect statistics from diffractograms via machine learning

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AI tool makes phase identification crystal clear

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Increasing the number of topological nodal lines in semimetals via uniaxial...

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INDEEDopt: a deep learning-based ReaxFF parameterization framework

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Author Correction: The microscopic role of deformation in the dynamics of...

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Cleavage-dissolution assisted stress corrosion cracking under elastic loads

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Phase-to-pattern inverse design paradigm for fast realization of functional...

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Evolutionary computing and machine learning for discovering of low-energy...

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Solving quasiparticle band spectra of real solids using neural-network...

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Correcting the corrections for charged defects in crystals

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Machine learning-based microstructure prediction during laser sintering of...

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Analogical discovery of disordered perovskite oxides by crystal structure...

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A graph-based network for predicting chemical reaction pathways in...

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Publisher Correction: Adsorption space for microporous polymers with diverse...

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A machine-learning-based alloy design platform that enables both forward and...

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Discovering and understanding materials through computation

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Electronic-structure methods for materials design

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