> For the complete documentation index, see [llms.txt](https://tu-clausthal.gitbook.io/good-research-practice-in-md-simulations-tuc-swz/llms.txt). Markdown versions of documentation pages are available by appending `.md` to page URLs; this page is available as [Markdown](https://tu-clausthal.gitbook.io/good-research-practice-in-md-simulations-tuc-swz/data-management-plan.md).

# Data Management Plan

The folder template below is the starting point for organizing simulation projects at SWZ. It is meant for day-to-day research work, not just for the final archival step. If the project is structured early in a consistent way, it becomes much easier to keep raw data, scripts, notes, and figures connected to one another, and much easier to assemble a replication package later.

The template was adapted from work by [Julien Colomb](https://zenodo.org/records/4410128), but it is used here in a local SWZ context. The most important point is not that every project has the same number of folders. The important point is that someone else in the group can open the project and quickly understand where documentation lives, where the simulation inputs are stored, where processed data begins, and which files belong to publication output.

## Why this layout matters

The folder structure is meant to act as a shared working agreement for the project. When the same logic is followed from the beginning, the path from raw simulation output to processed data, analysis scripts, and figures stays visible. That makes internal review easier, reduces the time needed for handover, and lowers the chance that a result depends on a file that only one person can still locate.

In that sense, the DMP is not just an administrative form. It is part of the information system of the project: it connects people, files, methods, storage locations, and publication output. A good layout gives the group a common reference point for what belongs where and which version of a dataset or script should be treated as authoritative.

**Template Folder for Phase 1: Internal can be accessed at:**

`nas.rz.tu-clausthal.de/swz/AG-Compmat/template_project`

```
template_project/
├── 01_project_management
│   ├── 01_administration_files
│   ├── 02_accepted_grants
│   ├── 03_meeting_minutes
│   ├── 04_related_literature
│   ├── 05_data_management_plans
│   │   └── DMP_main.txt
│   └── 06_notebook
├── 02_material_and_methods
│   ├── 01_protocols
│   ├── 02_LAMMPS_Code
│   ├── 03_Potentials
│   └── Readme_MM.md
├── 03_data
│   ├── 001_defaultexp
│   │   ├── LICENSE
│   │   └── README.md
│   ├── 990_processed_data
│   │   └── 001_defaultexp_processeddata
│   └── Readme_data_store.md
├── 04_data_analysis
│   ├── 000_Readme_data_analysis.md
│   ├── 001_defaultexp_analysis
│   ├── 400_Ovito_template
│   ├── 990_code_libraries
│   ├── 991_preregistration
│   └── LICENSE-MIT
├── 05_figures
│   ├── 001_defaultexp_fig
│   └── 990_shared_figures
│       └── Readme_sharedfig.md
├── 06_disseminations
│   ├── 01_report_conf
│   │   └── Readme_conf.md
│   ├── 02_manuscript
│   │   └── Readme_manuscript.md
│   ├── 03_other
│   └── Readme_diss.md
├── 07_misc
└── README.md
```

Phase 1 is designed for internal work: active projects, group-internal handover, and preparation for publication. Phase 2 is the cleaned-up version for material that is ready to leave the group and be shared more openly.

**Template Folder for Phase 2: Open Access can be accessed at:**

`nas.rz.tu-clausthal.de/swz/AG-Compmat/template_open_access`

```
template_open_access/
├── 01_material_and_methods
│   ├── 01_protocols
│   ├── 02_LAMMPS_Code (optional)
│   ├── 03_Potentials (optional)
│   ├── 04_Workflows
│   └── Readme_MM.md
├── 02_data
│   ├── 001_defaultexp
│   │   ├── LICENSE
│   │   └── README.md
│   ├── 990_processed_data
│   │   └── 001_defaultexp_processeddata
│   └── Readme_data_store.md
├── 03_data_analysis
│   ├── 000_Readme_data_analysis.md
│   ├── 001_defaultexp_analysis
│   ├── 400_Ovito_template
│   ├── 990_code_libraries
│   ├── 991_preregistration
│   └── LICENSE-MIT
├── 04_figures
│   ├── 001_defaultexp_fig
│   └── 990_shared_figures
│       └── Readme_sharedfig.md
├── 05_disseminations
│   ├── 01_report_conf
│   │   └── Readme_conf.md
│   ├── 02_manuscript
│   │   └── Readme_manuscript.md
│   ├── 03_other
│   └── Readme_diss.md
├── 06_misc
├── LICENSE
└── README.md
```