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Computation and theory

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Researchers have built and trained machine learning algorithms that can accurately predict defect behavior in intermetallic compounds.

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Unexpectedly, scientists have discovered that electrons in metallic vanadium dioxide can conduct electricity without conducting heat.

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Using a Titan supercomputer, scientists have identified Lewis-acidic polymers as promising solid electrolytes in lithium-ion batteries.

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Physicists have mapped the coordinates of more than 23,000 individual atoms in an iron-platinum nanoparticle to reveal the material's defects.

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A new computational design strategy can pinpoint optimal materials for coating the cathode in lithium-ion batteries to protect it from degradation.

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Using symmetry and topology, scientists have described a new class of metals with exotic electronic properties.

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A general framework for designing reconfigurable metamaterials can be applied to everything from meter-scale architectures to nano-scale systems.

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Biomimicry of the beetle helps material design.

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Porous 3D form of graphene produced using heat and pressure

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