Research Highlights
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A Magnetically Bistable Rigid Carbene─2,3-Benzofluorenylidene
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Leveraging transfer learning for accurate estimation of ionic migration barriers in solids
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Harmonic-to-anharmonic thermodynamic integration made simple using REG TI
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H–Cu vacancy co-segregation and H diffusion in Cu grain boundaries
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Origin of Trapped Intralayer Wannier and Charge-Transfer Excitons in Moire Materials
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Structure–Property Relationships of Near-Infrared Cyanine Dyes: Chalcogen-Driven Singlet Oxygen Generation with High Fluorescence Efficiency
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Transiently delocalised hybrid quantum states are gateways for efficient exciton dissociation at organic donor-acceptor interfaces
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Electrically Tunable Friction through Surface Adsorption Layer Restructuring
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Atomate2: modular workflows for materials science
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Orbital Magnetic Field Driven Metal-Insulator Transition in Strongly Correlated Electron Systems