Research Highlights
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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
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On the reproducibility of free energy surfaces in machine-learned collective variable spaces
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Recrystallization Mechanisms of Aluminum and Aluminum Oxide Interfaces through Reactive Simulations
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Surface-Driven Electron Localization and Defect Heterogeneity in Ceria
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Modelling Silica using MACE-MP Machine Learnt Interatomic Potentials
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Low-density amorphous ice contains crystalline ice grains