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Author Correction: Approaching coupled-cluster accuracy for molecular...

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Extracting rates and activation free energies of martensitic transitions...

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Author Correction: Layer-by-layer phase transformation in Ti3O5 revealed by...

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Author Correction: Gas permeability, diffusivity, and solubility in polymers:...

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Unveiling the complex morphologies of sessile droplets on heterogeneous surfaces

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Effective dipole model for electrostatic interactions between polarizable...

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A comprehensive DFT/TDDFT investigation into the influence of electron...

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Effect of Hubbard U-corrections on the electronic and magnetic properties of...

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Influence of pyridinic nitrogen on tautomeric shifts and charge transport in...

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Machine learning Hubbard parameters with equivariant neural networks

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Multi-objective design of multi-material truss lattices utilizing graph...

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Feature engineering descriptors, transforms, and machine learning for grain...

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Disorder-induced enhancement of lithium-ion transport in solid-state...

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Sensitive dependence of pairing symmetry on Ni-eg crystal field splitting in...

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Phonon-limited electronic transport through first principles

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Exploring parameter dependence of atomic minima with implicit differentiation

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Water-mediated ion transport in an anion exchange membrane

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SPACIER: on-demand polymer design with fully automated all-atom classical...

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Discovery of new topological insulators and semimetals using deep generative...

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Transformer-generated atomic embeddings to enhance prediction accuracy of...

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