Theory and computation : nature.com subject feeds

Channel: Theory and computation : nature.com subject feeds

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Application-oriented design of machine learning paradigms for battery science

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April 1, 2025, 5:00 pm

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Identifying MOFs for electrochemical energy storage via density functional...

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April 2, 2025, 5:00 pm

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Increased Curie temperature in lithium substituted ferroelectric niobate...

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April 3, 2025, 5:00 pm

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Harnessing machine learning for high-entropy alloy catalysis: a focus on...

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April 3, 2025, 5:00 pm

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Author Correction: Energetics of the coupled electronic–structural transition...

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April 3, 2025, 5:00 pm

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Machine learning and high-throughput computational guided development of high...

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April 3, 2025, 5:00 pm

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GAPF-DFT: A graph-based alchemical perturbation density functional theory for...

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April 3, 2025, 5:00 pm

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A general approach for determining applicability domain of machine learning...

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April 4, 2025, 5:00 pm

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Heterojunction impedes ion induced metallization in 2D transition metal...

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April 5, 2025, 5:00 pm

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High entropy alloy property predictions using a transformer-based language model

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April 6, 2025, 5:00 pm

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Bayesian exploration of the composition space of CuZrAl metallic glasses for...

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April 6, 2025, 5:00 pm

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Unveiling the origins of elastic anisotropy and thermodynamic stability in Mg...

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April 6, 2025, 5:00 pm

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A keyword-based approach to analyzing scientific research trends: ReRAM...

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April 7, 2025, 5:00 pm

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Interpretable multimodal machine learning analysis of X-ray absorption...

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April 10, 2025, 5:00 pm

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Uncovering the influence of nitridation on the dislocation density at...

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April 11, 2025, 5:00 pm

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Artificial intelligence approach for estimating energy density of liquid...

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April 11, 2025, 5:00 pm

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First principle investigation of Mo substitution on the structural mechanical...

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April 12, 2025, 5:00 pm

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Transforming machine learning model knowledge into material insights for...

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April 13, 2025, 5:00 pm

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Fracture characteristics of rare-earth phosphate and silicate environmental...

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April 14, 2025, 5:00 pm

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Theoretical characterization of mesoscopic structure of PBT propellant based...

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April 14, 2025, 5:00 pm

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