Interesting papers about workflow concepts

[jan-janssen]

As we are not the first who think about workflows I wanted to start collecting a few more interesting papers:

• https://doi.org/10.1371/journal.pcbi.1011369
• https://www.nature.com/articles/s41524-021-00594-6

I thought we also had a https://www.zotero.org link somewhere, but I was not able to find it right now.

[jan-janssen]

I just copy the links from the Zotero:

• https://doi.org/10.1002/aenm.202102638
• https://arxiv.org/abs/2211.06429
• https://pubs.acs.org/doi/10.1021/acs.jcim.9b00384
• https://doi.org/10.21105/joss.01844

[jan-janssen]

List of atomistic workflow frameworks:

• https://doi.org/10.1038/s41597-020-00638-4 and https://doi.org/10.1016/j.commatsci.2020.110086
• https://joss.theoj.org/papers/10.21105/joss.05995
• https://doi.org/10.1016/j.commatsci.2018.07.043
• https://www.sciencedirect.com/science/article/pii/S0927025621004584
• https://pubs.aip.org/aip/jcp/article/159/12/124801/2913657/wfl-Python-toolkit-for-creating-machine-learning
• https://doi.org/10.1038/s41524-023-00969-x
• https://doi.org/10.1016/j.commatsci.2018.01.035

[JaGeo]

https://github.com/lanl/ALF (including 3 publications)