Author: Dr. Ravindra Shinde
License: MIT License
Documentation Website: Website
This repository contains a template for a data management plan for computational research. The data management plan is a document that outlines how data will be managed during a research project and after it is completed. It is a living document that should be updated as the project progresses and as new data management needs arise.
This DMP follows the FAIR principles for data management: data should be Findable, Accessible, Interoperable, and Reusable. The DMP is organized into the following sections:
This section describes how data will be organized during the project. It includes information about the data structure, file formats, and naming conventions.
- Automatic generation of docx and pdf files from selection of funding agency and the archival repository.
Data will be organized into the following directories:
/home/user/
├── audios
│  ├── dataA
│  │  ├── annotations
│  │  ├── features
│  │  ├── processed
│  │  └── raw
│  └── README.md
├── authoring
│  ├── book-chapters
│  │  └── README.md
│  ├── books
│  │  └── README.md
│  ├── dissertation
│  │  ├── final_dissertation.pdf
│  │  ├── README.md
│  │  ├── references
│  │  └── source
│  ├── manuscripts
│  │  ├── README.md
│  │  ├── references
│  │  ├── title-A
│  │  ├── title-B
│  │  └── title-C
│  ├── papers
│  │  ├── 001-YYYY-Journal-Title
│  │  ├── 002-YYYY-Journal-Title
│  │  ├── 003-YYYY-Journal-Title
│  │  └── README.md
│  ├── presentations
│  │  └── README.md
│  ├── proposals
│  │  └── README.md
│  ├── README.md
│  ├── reports
│  │  └── README.md
│  ├── teaching
│  │  └── README.md
│  ├── thesis
│  │  ├── final_thesis.pdf
│  │  ├── README.md
│  │  ├── references
│  │  └── source
│  └── tutorials
│  ├── blogs
│  ├── HandsOnVASP
│  ├── QuantumEspresso
│  └── README.md
├── calculations
│  ├── collaborations
│  │  ├── Amsterdam
│  │  │  ├── 000000-silicon -> ../../materials/000000-silicon/
│  │  │  └── 000001-CdGeSb2 -> ../../materials/000001-CdGeSb2/
│  │  ├── Berkeley
│  │  │  ├── 000001-C13H18O2 -> ../../molecules/000001-C13H18O2/
│  │  │  └── 000001-CdGeSb2 -> ../../materials/000001-CdGeSb2/
│  │  ├── Oxford
│  │  │  ├── 000000-caffeine -> ../../molecules/000000-caffeine/
│  │  │  └── 000001-CdGeSb2 -> ../../materials/000001-CdGeSb2/
│  │  └── README.md
│  ├── grants
│  │  ├── Horizon-Europe
│  │  │  ├── 000000-silicon -> ../../materials/000000-silicon/
│  │  │  └── 000001-CdGeSb2 -> ../../materials/000001-CdGeSb2/
│  │  ├── Marie-Curie
│  │  │  ├── 000000-caffeine -> ../../molecules/000000-caffeine/
│  │  │  └── 000001-CdGeSb2 -> ../../materials/000001-CdGeSb2/
│  │  ├── NWO
│  │  │  ├── 000001-C13H18O2 -> ../../molecules/000001-C13H18O2/
│  │  │  └── 000001-CdGeSb2 -> ../../materials/000001-CdGeSb2/
│  │  └── README.md
│  ├── materials
│  │  ├── 000000-silicon
│  │  │  ├── 00-relaxation
│  │  │  │  └── README.md
│  │  │  ├── 01-DFT
│  │  │  │  └── README.md
│  │  │  ├── 02-HSE
│  │  │  │  └── README.md
│  │  │  ├── 03-post-DFT
│  │  │  │  └── README.md
│  │  │  ├── common
│  │  │  │  └── README.md
│  │  │  └── README.md
│  │  ├── 000001-CdGeSb2
│  │  │  ├── 00-relaxation
│  │  │  │  └── README.md
│  │  │  ├── 01-DFT
│  │  │  │  └── README.md
│  │  │  ├── 02-HSE
│  │  │  │  └── README.md
│  │  │  ├── 03-post-DFT
│  │  │  │  └── README.md
│  │  │  ├── common
│  │  │  │  └── README.md
│  │  │  └── README.md
│  │  └── README.md
│  ├── molecules
│  │  ├── 000000-caffeine
│  │  │  ├── 00-HF
│  │  │  │  └── README.md
│  │  │  ├── 01-optimization
│  │  │  │  └── README.md
│  │  │  ├── 02-VMC
│  │  │  │  └── README.md
│  │  │  ├── 03-DMC
│  │  │  │  └── README.md
│  │  │  ├── common
│  │  │  │  └── README.md
│  │  │  └── README.md
│  │  ├── 000001-C13H18O2
│  │  │  ├── 00-HF
│  │  │  │  └── README.md
│  │  │  ├── 01-optimization
│  │  │  │  └── README.md
│  │  │  ├── 02-VMC
│  │  │  │  └── README.md
│  │  │  ├── 03-DMC
│  │  │  │  └── README.md
│  │  │  ├── common
│  │  │  │  └── README.md
│  │  │  └── README.md
│  │  └── README.md
│  ├── projects
│  │  ├── andrea-zen -> ../molecules/000001-C13H18O2
│  │  ├── fugaku-2024 -> ../molecules/000000-caffeine
│  │  └── README.md
│  └── README.md
├── codes
│  ├── devel
│  │  ├── champ
│  │  │  ├── 2.3.0
│  │  │  └── git
│  │  ├── quantum-espresso
│  │  │  ├── 7.3.1
│  │  │  └── git
│  │  └── README.md
│  ├── libraries
│  │  ├── hdf5
│  │  │  └── v1.14.2
│  │  ├── qmckl
│  │  │  └── v1.0.0
│  │  ├── README.md
│  │  └── trexio
│  │  └── v2.5.0
│  ├── packages
│  │  ├── berkeleyGW
│  │  ├── quantum-espresso
│  │  │  ├── 7.3.1
│  │  │  └── git
│  │  ├── README.md
│  │  └── vasp
│  │  └── 6.4.0
│  ├── README.md
│  ├── scripts
│  │  ├── python
│  │  │  ├── analysis
│  │  │  └── visualization
│  │  ├── README.md
│  │  └── shell
│  │  ├── compilation
│  │  └── slurm
│  └── tools
│  ├── cmake
│  ├── ninja
│  └── README.md
├── containers
│  ├── qmckl-intel-latest
│  ├── README.md
│  └── trexio-gnu-latest
├── datasets
│  ├── 4TU
│  │  ├── dataset-4tu-paper-001
│  │  │  └── README.md
│  │  └── dataset-4tu-paper-002
│  │  └── README.md
│  ├── materials-cloud
│  │  └── dataset-materials-cloud-paper-005
│  │  └── README.md
│  ├── README.md
│  └── zenodo
│  ├── dataset-zenodo-paper-003
│  │  └── README.md
│  └── dataset-zenodo-paper-004
│  └── README.md
├── editing
│  ├── book-chapters
│  │  └── README.md
│  ├── books
│  │  └── README.md
│  ├── journals
│  │  ├── 001-YYYY-Journal-Title
│  │  ├── 002-YYYY-Journal-Title
│  │  └── README.md
│  └── README.md
├── environments
│  └── README.md
├── graphics
├── README.md
├── reviewing
│  ├── book-chapters
│  │  └── README.md
│  ├── books
│  │  └── README.md
│  ├── dissertation
│  │  ├── final_dissertation.pdf
│  │  ├── README.md
│  │  ├── references
│  │  └── source
│  ├── grants
│  │  └── README.md
│  ├── papers
│  │  ├── 001-YYYY-Journal-Title
│  │  ├── 002-YYYY-Journal-Title
│  │  ├── 003-YYYY-Journal-Title
│  │  └── README.md
│  ├── README.md
│  ├── reports
│  │  └── README.md
│  └─â
5E50
”€ thesis
│  ├── final_thesis.pdf
│  ├── README.md
│  ├── references
│  └── source
└── Videos
└── README.md