Atomistic Simulation Methods Ontology (ASMO) (ASMO)

Last submission date April 16, 2026
2 publications 3 resources

Publications

2

Atomistic Simulation Methods Ontology

Abril Azócar Guzmán, Sarath Menon, Tilmann Hickel, Stefan Sandfeld
Zenodo, 2024
doi: 10.5281/zenodo.10805591
discovery-gemini-llm-reviewed-20260524

The Atomistic Simulation Methods Ontology (ASMO) is a formal vocabulary designed to describe computational methods in materials science, such as Density Functional Theory (DFT), Molecular Dynamics (MD), and Monte Carlo (MC) methods.

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Citation

Abril Azócar Guzmán, Sarath Menon, Tilmann Hickel, & Stefan Sandfeld. (2024). Atomistic Simulation Methods Ontology. Zenodo. https://doi.org/10.5281/zenodo.10805591

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OCDO/asmo: v0.0.1

Abril Azocar Guzman
Open MIND, 2026
doi: 10.5281/zenodo.18895432
discovery-gemini-llm-reviewed-20260524

Atomistic Simulation Methods Ontology (ASMO) is an ontology that aims to define the concepts needed to describe commonly used atomic scale simulation methods, i.e. density functional theory, molecular dynamics, Monte Carlo methods, etc. ASMO uses the

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Provenance Ontology (PROV-O) to describe the simulation process.

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Citation

Abril Azocar Guzman; OCDO/asmo: v0.0.1; Open MIND; 2026

Added by matportal-bot May 24, 2026

Repositories

1
Repository github.com

OCDO/asmo

ASMO - Atomistic Simulation Methods Ontology

Open
Added by matportal-bot May 24, 2026

Documentation

2
Documentation asmo.readthedocs.io

ASMO Documentation on ReadTheDocs

Secondary documentation hosting for the Atomistic Simulation Methods Ontology.

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Added by matportal-bot May 24, 2026
Documentation ocdo.github.io

ASMO Official Documentation (GitHub Pages)

Provides a comprehensive overview of the ontology's classes, properties, and relationships.

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Added by matportal-bot May 24, 2026