JuDFTteam/aiida-jutools (ICPSR doi:10.26165/JUELICH-DATA/MSDNXU)

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Document Description

Citation

Title:

JuDFTteam/aiida-jutools

Identification Number:

doi:10.26165/JUELICH-DATA/MSDNXU

Distributor:

Jülich DATA

Date of Distribution:

2024-04-30

Version:

1

Bibliographic Citation:

Wasmer, Johannes; Kovacik, Roman; Rüßmann, Philipp, 2024, "JuDFTteam/aiida-jutools", https://doi.org/10.26165/JUELICH-DATA/MSDNXU, Jülich DATA, V1

Study Description

Citation

Title:

JuDFTteam/aiida-jutools

Identification Number:

doi:10.26165/JUELICH-DATA/MSDNXU

Authoring Entity:

Wasmer, Johannes (PGI-1 / IAS-1)

Kovacik, Roman (PGI-1 / IAS-1)

Rüßmann, Philipp (PGI-1 / IAS-1)

Distributor:

Jülich DATA

Access Authority:

Wasmer, Johannes

Depositor:

Rüßmann, Philipp

Date of Deposit:

2024-04-26

Study Scope

Keywords:

Computer and Information Science, Physics, workflow, data-science, utility, DFT, toolkit, pandas, provenance, density-functional-theory, AiiDA, materials-science, high-throughput, computational-science, judft

Abstract:

Tools for simplifying daily work with the AiiDA workflow engine.

Methodology and Processing

Sources Statement

Data Access

Notes:

CC0 Waiver

Other Study Description Materials

Related Publications

Citation

Identification Number:

10.5281/ZENODO.10429636

Bibliographic Citation:

Wasmer, J., Rüßmann, P., & Kovacik, R. (2023). AiiDA-JuTools (v0.1.2). Zenodo. https://doi.org/10.5281/zenodo.10430514