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XGBoost model for electrocaloric temperature change prediction in ceramics
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2022-09-01 |
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Superconductivity in antiperovskites
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2022-09-01 |
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Photovoltaphores: pharmacophore models for identifying metal-free dyes for dye-sensitiz...
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2022-09-01 |
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On the role of the microstructure in the deformation of porous solids
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2022-09-01 |
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High-throughput computation and structure prototype analysis for two-dimensional ferrom...
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2022-09-01 |
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Dynamical phase-field model of coupled electronic and structural processes
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2022-09-01 |
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Anisotropic Dzyaloshinskii-Moriya interaction protected by D2d crystal symmetry in two-...
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2022-09-01 |
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Mechanisms of the Epitaxial Growth of Two-Dimensional Polycrystals
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2022-09-01 |
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Uncovering material deformations via machine learning combined with four-dimensional sc...
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2022-09-01 |
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Tracking perovskite crystallization via deep learning-based feature detection on 2D X-r...
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2022-09-01 |
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Robust and tunable Weyl phases by coherent infrared phonons in ZrTe5
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2022-09-01 |
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Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe
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2022-09-01 |
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Autonomous scanning probe microscopy investigations over WS2 and Au{111}
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2022-09-01 |
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Accelerated identification of equilibrium structures of multicomponent inorganic crysta...
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2022-08-29 |
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High-throughput discovery of fluoride-ion conductors via a decoupled, dynamic, and iter...
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2022-08-29 |
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Dynamic observation of dendrite growth on lithium metal anode during battery charging/d...
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2022-08-29 |
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Effects of local compositional and structural disorder on vacancy formation in entropy-...
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2022-08-29 |
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Intermediate polaronic charge transport in organic crystals from a many-body first-prin...
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2022-08-29 |
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Discovery of Pb-free hybrid organic–inorganic 2D perovskites using a stepwise optimiza...
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2022-08-29 |
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Bridging microscopy with molecular dynamics and quantum simulations: an atom AI based p...
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2022-08-29 |
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Ferroelectricity coexisted with p-orbital ferromagnetism and metallicity in two-dimensi...
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2022-08-26 |
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Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of...
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2022-08-26 |
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Scale-invariant machine-learning model accelerates the discovery of quaternary chalcoge...
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2022-08-26 |
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Full-spin-wave-scaled stochastic micromagnetism for mesh-independent simulations of fer...
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2022-08-26 |
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Efficient and universal characterization of atomic structures through a topological gra...
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2022-08-26 |
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