Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

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New cubic perovskites for one- and two-photon water splitting using the computational materials repository

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High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials

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Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations

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Genetic-Algorithm Discovery of a Direct-Gap and Optically Allowed Superstructure from Indirect-Gap Si and Ge Semiconductors

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Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

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Reversible calcium alloying enables a practical room-temperature rechargeable calcium-ion battery with a high discharge voltage

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Materials for solar fuels and chemicals

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Scaling deep learning for materials discovery

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Accelerated discovery of CO2 electrocatalysts using active machine learning

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Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation

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Designing materials for electrochemical carbon dioxide recycling

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