Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

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  2026 Surfaces and Interfaces article Materials Science Thermal properties of materials

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• A symmetry-preserving and transferable representation for learning the Kohn–Sham density matrix

  2026 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

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• Electrolyte engineering for lithium-ion batteries: Mechanistic insights into the development of electrolyte from atomic-scale simulation

  2025 Energy storage materials article Engineering Advanced Battery Materials and Technologies

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• Atomic-scale modeling of defects in magnesium and its alloys: A review

  2025 Journal of Magnesium and Alloys review Materials Science Magnesium Alloys: Properties and Applications Open access

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• Plastic deformation of Mg17Al12 at 25–250 °C – properties and dislocation mechanisms

  2025 Materials & Design article Materials Science Magnesium Alloys: Properties and Applications Open access

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• In silico design and prediction of metastable quaternary phases in Cu–Ni–Si–Cr alloys

  2024 APL Machine Learning article Materials Science Machine Learning in Materials Science Open access

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• Influence of chemical composition on the room temperature plasticity of C15 Ca-Al-Mg Laves phases

  2024 Acta Materialia article Engineering Intermetallics and Advanced Alloy Properties Open access

  12

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• Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition

  2024 ACS Nano article Materials Science Graphene research and applications Open access

  15

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• Influence of Chemical Composition on the Room Temperature Plasticity of C15 Ca-Al-Mg Laves Phases

  2024 SSRN Electronic Journal preprint Engineering Intermetallics and Advanced Alloy Properties Open access

  1

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• Microstructure stability and self-diffusion in the equiatomic HfScTiZr HCP multi-principal element alloy

  2023 Journal of Alloys and Compounds article Engineering High Entropy Alloys Studies Open access

  11

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• Graphene at Liquid Copper Catalysts: Atomic‐Scale Agreement of Experimental and First‐Principles Adsorption Height

  2022 Advanced Science article Materials Science Graphene research and applications Open access

  23

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• Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height

  2022 ChemRxiv preprint Materials Science Graphene research and applications Open access

  3

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12 results