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Complex Ga2O3 polymorphs explored by accurate and general-purpose machine-learning inte...
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2023-09-19 |
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The γ/γ′ microstructure in CoNiAlCr-based superalloys using triple-objective optimiz...
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2023-09-19 |
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Greatly enhanced tunneling electroresistance in ferroelectric tunnel junctions with a d...
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2023-09-19 |
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Thermodynamics of multi-sublattice battery active materials: from an extended regular s...
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2023-09-19 |
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High-throughput study of the anomalous Hall effect
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2023-09-19 |
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High-throughput analysis of Fr？hlich-type polaron models
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2023-09-19 |
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Creation of crystal structure reproducing X-ray diffraction pattern without using database
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2023-09-19 |
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Circumventing the phonon bottleneck by multiphonon-mediated hot exciton cooling at the ...
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2023-09-19 |
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A structure translation model for crystal compounds
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2023-09-19 |
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Molecular design with automated quantum computing-based deep learning and optimization
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2023-09-19 |
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Performance of two complementary machine-learned potentials in modelling chemically com...
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2023-09-19 |
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Multi-reward reinforcement learning based development of inter-atomic potential models ...
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2023-09-19 |
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Point-defect-driven flattened polar phonon bands in fluorite ferroelectrics
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2023-09-19 |
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Optimizing and extending ion dielectric polarizability database for microwave frequenci...
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2023-09-19 |
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High-throughput design of perpendicular magnetic anisotropy at quaternary Heusler and M...
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2023-09-19 |
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End-to-end differentiability and tensor processing unit computing to accelerate materia...
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2023-09-19 |
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AlphaMat: a material informatics hub connecting data, features, model, and application
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2023-09-19 |
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Accelerating materials-space exploration for thermal insulators by mapping materials pr...
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2023-09-19 |
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Photoexcitation induced magnetic phase transition and spin dynamics in antiferromagneti...
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2023-09-19 |
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Sparse representation for machine learning the properties of defects in 2D materials
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2023-09-19 |
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Predicting electronic structures at any length scale with machine learning
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2023-09-19 |
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Machine-learning driven global optimization of surface adsorbate geometries
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2023-09-19 |
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Interpretable discovery of semiconductors with machine learning
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2023-09-19 |
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Sizing up feature descriptors for macromolecular machine learning with polymeric biomat...
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2023-08-21 |
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Not yet defect-free: the current landscape for women in computational materials research
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2023-08-21 |
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