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E(3)-equivariant graph neural networks for data-efficient and accurate...

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Brønsted acidity in zeolites measured by deprotonation energy

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The kinetics of static recovery by dislocation climb

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High-throughput discovery of fluoride-ion conductors via a decoupled,...

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Mobility enhancement in heavily doped semiconductors via electron cloaking

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Catalyst design via descriptors

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Accurate and efficient molecular dynamics based on machine learning and non...

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Thermal and mechanical characterization of nanoporous two-dimensional MoS2...

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Medial packing and elastic asymmetry stabilize the double-gyroid in block...

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Mechanisms of the epitaxial growth of two-dimensional polycrystals

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Accelerated identification of equilibrium structures of multicomponent...

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Heat transfer through hydrogenated graphene superlattice nanoribbons: a...

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Multiscale mechanical consequences of ocean acidification for cold-water corals

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Simulated carbon K edge spectral database of organic molecules

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Abnormal nonlinear optical responses on the surface of topological materials

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High-throughput predictions of metal–organic framework electronic properties:...

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Robust and tunable Weyl phases by coherent infrared phonons in ZrTe5

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Theory-guided design of hydrogen-bonded cobaltoporphyrin frameworks for...

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Efficient world-line-based quantum Monte Carlo method without...

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Expanding the capability of autonomous microscopy

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