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Computational investigation of hysteresis and phase equilibria of n-alkanes...

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Data-driven automated control algorithm for floating-zone crystal growth...

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Atomistic learning in the electronically grand-canonical ensemble

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Vertex dominated superconductivity in intercalated FeSe

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Machine learning-guided discovery of ionic polymer electrolytes for lithium...

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Modeling of H2S solubility in ionic liquids: comparison of white-box machine...

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Towards high-throughput many-body perturbation theory: efficient algorithms...

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The promise and pitfalls of AI for molecular and materials synthesis

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General framework for E(3)-equivariant neural network representation of...

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Microscopic ordering of supercooled water on the ice basal face

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A map of single-phase high-entropy alloys

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Generalization of the mixed-space cluster expansion method for arbitrary...

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A database of low-energy atomically precise nanoclusters

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Data-driven prediction of complex crystal structures of dense lithium

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Impact of d-states on transition metal impurity diffusion in TiN

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Topology of vibrational modes predicts plastic events in glasses

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Ab initio quantum simulation of strongly correlated materials with quantum...

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Lithium crystallization at solid interfaces

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Machine learning-enabled exploration of the electrochemical stability of...

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Discovering kirigami patterns

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