Skip to content


Repository files navigation

Materials Design Ontology (MDO-v1.1)

MDO is an ontology for materials design field, representing the domain knowledge specifically related to solid-state physics and computational materials science.

What does Materials Design Ontology consist of?

Materials Design Ontology consists of 4 modules which are:

  • Core: This module consists of the top-level concepts and relationships of the materials design ontology, which are also reused in other modules.

  • Structure: The structure module is intended to represent the structural information of materials. Such structural information is also the basis of materials calculations.

  • Calculation: This module is intended to represent the classification of different computational methods.

  • Provenance: This module is intended to represent the provenance information of materials data and calculation.

  • A full MDO importing all the above modules is avaliable at MDO Full.

MDO Concepts and Relationships


MDO Vision


MDO Instantiation



Li H, Armiento R, Lambrix P, "An Ontology for the Materials Design Domain", published version (accepted at ISWC 2020)

Talk based on MDO-v1.0