most citedTowards knowledge-based workflows: a semantic approach to atomistic simulations for mechanical and thermodynamic properties

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cond-mat.mtrl-sci2026★ 1 cited

Towards knowledge-based workflows: a semantic approach to atomistic simulations for mechanical and thermodynamic properties

Abril Azocar Guzman, Hoang-Thien Luu, Sarath Menon +3

Mechanical and thermodynamic properties, including the influence of crystal defects, are critical for evaluating materials in engineering applications. Molecular dynamics simulatio…