About ADAQ and the ADAQ Database

The Automatic Defect Analysis and Qualification, ADAQ, is a software platform for automatic workflows for high-throughput calculations of point defects in semiconductors. ADAQ is an extension to the high-throughput toolkit, httk. See the ADAQ framework web page for more information.

The ADAQ Database provides a powerful web user interface to interactively navigate and search a rich dataset of defects and their properties. It is implemented using the httkweb web user interface engine in httk. Presently the database contains a large set of defects in diamond, but other host materials will soon follow.

The ADAQ Database is maintained by the Unit of Materials Design and Informatics at Theoretical Physics at Linköping University (LiU) in Sweden.

ADAQ Database Initiative

Joel Davidsson

Joel Davidsson

ADAQ Main Developer and
Database Initative Lead

Viktor Ivády

Viktor Ivády

Methodology Lead

Rickard Armiento

Rickard Armiento

Technology Lead

Igor Abrikosov

Igor Abrikosov

Strategy Lead

Contributors of Data and Methodology

Oscar Bulancea Lindvall

Oscar Bulancea Lindvall 1

SiC defect data

William Stenlund

William Stenlund 1

Defect symmetry analysis,
Diamond host data

Abhijith S Parackal

Abhijith S Parackal 1

Diamond host data

1 Materials Design and Informatics unit, Theoretical Physics, Linköping University, Sweden.


1 Semiconductor Materials, Linköping University, Sweden.
2 Semiconductor Nanostructures, Wigner Research Centre for Physics, Hungary.
3 Pritzker School of Molecular Engineering, University of Chicago, USA.

Website Development

  • Andreas Hertin
  • Gunnar Wickbom
  • Alice Eriksson


For help and discussions about ADAQ and the ADAQ database, please use the ADAQ forums.

The ADAQ initative lead can be contacted at: joel.davidsson@liu.se


Individual database entries, and non-substantial sets of them, and other extracts from the database that do not constitute a substantial part of the ADAQ Database are available under the CC BY-SA 4.0 license. To the extent one can ascribe protection to collections of specifically the database field "Defect ID", even substantial or complete collections of such IDs are available under the same license.

Other than as described above, we retain the rights protecting the ADAQ Database itself and excerpts that constitute substantial parts of it. Hence, if you need to reproduce a substantial part of the ADAQ Database, for example, to publish a data set from a research project where the published data would include (rather than reference via Defect IDs) large parts of the data we provide, please contact us.

Note: the above statements apply to the ADAQ Database and its contents, and do not cover the ADAQ workflow software or other related software packages. For licensing information for these software packages, please refer to, e.g., their respective source code repositories.

Helpful information on the protection of databases is available, e.g., from europa.eu and the European Intellectual Property Rights Helpdesk (EHD).


The main part of our computations has been performed at the Swedish National Infrastructure for Computing (SNIC) and National Academic Infrastructure for Super­computing in Sweden (NAISS).

We are grateful for funding provided by:

And computational resources: