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Computational Progress of High Entropy Materials
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Collection: Transport Mechanisms in Energy Materials
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Collection: Machine Learning of Defects in Crystals
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Combined study of phase transitions in the P2-type NaXNi1/3Mn2/3O2 cathode material: experimental, ab-initio and multiphase-field results
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Crystal structure prediction at finite temperatures
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Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials
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Accurate machine learning force fields via experimental and simulation data fusion