11 citations · 11 across the 3 of their papers we have counts for
3 papers
Ontology-based knowledge graph infrastructure for interoperable atomistic simulation data
Abril Azocar Guzman, Sarath Menon, Tilmann Hickel +1
The reuse of atomistic simulation data is often limited by heterogeneous formats, incomplete metadata, and a lack of standardized representations of workflows and provenance. Here…
Ontology-aligned structuring and reuse of multimodal materials data and workflows towards automatic reproduction
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon +3
Reproducibility of computational results remains a challenge in materials science, as simulation workflows and parameters are often reported only in unstructured text and tables. W…
Effects of mechanical stress, chemical potential, and coverage on hydrogen solubility during hydrogen-enhanced decohesion of ferritic steel grain boundaries: A first-principles study
Abril Azócar Guzmán, Rebecca Janisch
Hydrogen-enhanced decohesion (HEDE) is one of the many mechanisms of hydrogen embrittlement, a phenomenon that severely impacts structural materials such as iron and iron alloys. G…