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0008 - Publication strategy and guidelines
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rkingsbury authored Jan 13, 2025
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# Scope of emmet document models

## Context and Problem Statement

Regular publications are important for several reasons, including:
* An additional method to communicate capabilities of codes with the community.
* Career advancement for individual contributors.
* Increased confidence in methods when a publication has been peer-reviewed.
* An additional method to track usage of a code, specifically when that usage has lead to a scientific advance.
* Motivate and incentivize contribution to codes from new contributors.

It is expected that **publication decisions will primarily always be the responsibility of lead developers.**
However, it might be useful to formalize some guidelines for best practices.

## Decision Drivers

TBD

## Considered Options

### Proposed Guidelines

We could propose a guideline document that includes the following main points:

1. We encourage publication of software papers.
Publication and organization of a software paper is the responsibility of the lead developer(s) of that
software package. The following are guidelines only.
2. A paper should be written or planned by the time an open-source code is used either in published scientific
research or used on the production Materials Project website.
3. A distinction can be made between more focused codes (e.g., a single feature, unlikely to see extensive
future development) and more foundational codes (e.g., expects lots of future development or contains a
new scientific formalism). The former might be more appropriate for a brief paper in a journal such as JOSS.
4. To acknowledge that the initial set of authors will inevitably be incomplete over the lifetime of the code,
two strategies are suggested:
a. A Zenodo citation that is continuously updated with all contributors and includes release notes specifying individual contributions.
b. "Update" papers, on a frequency that is best determined by the circumstances of an individual code.
5. Paper authorship should be as inclusive as possible, recognizing contributions of not just new features,
but significant bug fixes, documentation improvements, and other meaningful effort. No contributions should
be taken for granted.

## Decision Outcome

We recommend the following specific actions within each supported code:

1. Include a "How to Cite" section in the README file that contains a link to relevant publications (if any) and/or a BibTex entry
2. Ensure that the repo is connected to Zenodo so that DOIs are minted with each public release
3. Whenever a publication is in the works, advertise it in the project README and/or via a pinned issue and invite contributions from community members.

The atomate2 repository provides a good example of implementing this policy. ([README ](https://github.com/materialsproject/atomate2?tab=readme-ov-file)and [issue](https://github.com/materialsproject/atomate2/issues/750))

These actions were unanimously approved at the 01-13-25 MPSF Steering Committee meeting.

## Implementation Plan

All codes are requested to review their READMEs and Zenodo settings.

- [ ] `pymatgen`: README already done; needs Zenodo integration.
- [x] `atomate2`: Already implemented.
- [ ] `emmet`: needs README and Zenodo integration.
- [ ] `crystal-toolkit`: README already done; needs Zenodo integration.
- [ ] `jobflow`: README already done; needs Zenodo integration.
- [ ] `maggma`: needs README and Zenodo integration.

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