Ontologies
ONTOCOMPCHEM
OntoCompChem (ONTOCOMPCHEM)
OWL
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Last submission date February 16, 2026
Summary
Classes
Properties
Instances
Notes
Mappings
Widgets
SPARQL

General information

OntoCompChem is an ontology for representing quantum-chemistry calculations, including computation objective, software, level of theory, charge/spin settings, and resulting properties such as converged energies, frontier orbitals, optimized geometries, and vibrational outputs. It is used to make computational chemistry results interoperable and queryable in knowledge-graph workflows. See more...
Initial created on February 8, 2026. For additional information, contact Mat Portal Admin (admin@nodomain.org).

Categories

CATALYSIS
CHEMISTRY
NFDI4CAT

Subjects

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Metrics

Ontology relations network

Submissions

Identifiers

URI

http://theworldavatar.com/ontology/ontocompchem/ontocompchem.owl
http://theworldavatar.com/ontology/ontocompchem/ontocompchem.owl

MatPortal URI

https://stage.matportal.org/ontologies/ONTOCOMPCHEM
https://stage.matportal.org/ontologies/ONTOCOMPCHEM

Dates

Creation date

February 8, 2026

Submission date

February 16, 2026

Agents

Contact

MatPortal Admin

Other links

Projects and usage information

Projects using ONTOCOMPCHEM

No projects using ONTOCOMPCHEM

Methodology and provenance

The fields Knowledge representation paradigm, Engineering methodology, Created with, Accrual method, Accrual periodicity... are empty

Community

Notes

An ontology defined for representing computational calculations of species.

Groups

Content

The fields are empty

Visits

We are still collecting data for ONTOCOMPCHEM

Views of ONTOCOMPCHEM

No views available for ONTOCOMPCHEM.


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