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1
Automated and Efficient Sampling of Chemical Reaction Space
Published 2025-03-01Subjects: Get full text
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2
Universal machine learning interatomic potentials poised to supplant DFT in modeling general defects in metals and random alloys
Published 2025-01-01Subjects: “…universal machine learning interatomic potential…”
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3
Machine-learning potentials for structurally and chemically complex MAB phases: Strain hardening and ripplocation-mediated plasticity
Published 2025-08-01Subjects: Get full text
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4
Elemental augmentation of machine learning interatomic potentials
Published 2025-06-01Subjects: “…Machine learning interatomic potentials…”
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5
Hydrogen Diffusion in Garnet: Insights From Atomistic Simulations
Published 2025-02-01Subjects: Get full text
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6
Buried No longer: recent computational advances in explicit interfacial modeling of lithium-based all-solid-state battery materials
Published 2025-08-01Subjects: Get full text
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7
Active delta-learning for fast construction of interatomic potentials and stable molecular dynamics simulations
Published 2025-01-01Subjects: “…machine learning interatomic potentials…”
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8
TiAlNb alloy interatomic potentials: comparing passive and active machine learning techniques with MTP and DeePMD
Published 2025-07-01Subjects: Get full text
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