Ontologies
ONTOCOMPCHEM

OntoCompChem (ONTOCOMPCHEM)

Last submission date February 16, 2026

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.

Subjects

Loading


Metrics

Loading

Ontology relations network

Submissions

Identifiers

URI

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

MatPortal URI

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

Visits

We are still collecting data for ONTOCOMPCHEM

Views of ONTOCOMPCHEM

No views available for ONTOCOMPCHEM.