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High-TC superconductivity in La3Ni2O7 based on the bilayer two-orbital t-J model

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Advancing first-principles dielectric property prediction of complex...

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Don’t flock to faulty AI fashion

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Accelerating the discovery of acceptor materials for organic solar cells by...

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Computational insights into popsilicene as a new planar silicon allotrope...

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Anomalous lattice thermal conductivity increase with temperature in cubic...

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Internal consistency of multi-tier GW+EDMFT

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Self-supervised probabilistic models for exploring shape memory alloys

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Low-symmetry vacancy-related spin qubit in hexagonal boron nitride

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Grand canonically optimized grain boundary phases in hexagonal close-packed...

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Gas permeability, diffusivity, and solubility in polymers:...

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Accelerating predictions of electronic transport and superconductivity

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An accurate and transferable machine learning interatomic potential for nickel

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Design of functional and sustainable polymers assisted by artificial...

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Progress in computational understanding of ferroelectric mechanisms in HfO2

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Quasi-one-dimensional hydrogen bonding in nanoconfined ice

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Dynamical phase-field model of cavity electromagnonic systems

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UWB/MEMS IMU integrated positioning method based on NLOS angle discrimination...

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Computational design of mechanical metamaterials

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Damage-programmable design of metamaterials achieving crack-resisting...

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