Antanas Vaitkus

7PUBLICATIONS
63CO-AUTHORS
Computational chemistryProgramming languagesCrystallographyQuery processing and optimisationCharacterisation of biological macromolecules
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Publications (7)

|Jun 11, 2026
Determination of bonding radii from small-molecule crystal structures.

|Aug 09, 2024
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.

Matthew L Evans, Johan Bergsma, Andrius Merkys

|Dec 20, 2023
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database.

Antanas Vaitkus, Andrius Merkys, Thomas Sander

|Feb 23, 2023
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions.

Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas

|May 06, 2021
Validation of the Crystallography Open Database using the Crystallographic Information Framework.

Antanas Vaitkus, Andrius Merkys, Saulius Gražulis

|Jun 26, 2019
Raman Open Database: first interconnected Raman-X-ray diffraction open-access resource for material identification.

Yassine El Mendili, Antanas Vaitkus, Andrius Merkys

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Frequent Collaborators

7 joint publications

Saulius Gražulis

7 joint publications

Andrius Merkys

3 joint publications

Miguel Quirós

2 joint publications

Algirdas Grybauskas