Skip to content

Commit

Permalink
Update README.md (autoatml#311)
Browse files Browse the repository at this point in the history
  • Loading branch information
JaGeo authored Dec 24, 2024
1 parent 526580e commit 3e0b5c5
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -144,5 +144,6 @@ A short guide to contributing to autoplex can be found [here](https://autoatml.g

We currently have two different types of automation workflows available:

* Workflow to use random-structure searches for the systematic construction of interatomic potentials. The implementation automates ideas from the following articles: [*Phys. Rev. Lett.* **120**, 156001 (2018)](https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.120.156001) and [*npj Comput. Mater.* **5**, 99 (2019)](https://www.nature.com/articles/s41524-019-0236-6).
* Workflow to use random-structure searches for the systematic construction of interatomic potentials: [arXiv: 10.48550/arXiv.2412.16736](https://arxiv.org/abs/2412.16736).
The implementation automates ideas from the following articles: [*Phys. Rev. Lett.* **120**, 156001 (2018)](https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.120.156001) and [*npj Comput. Mater.* **5**, 99 (2019)](https://www.nature.com/articles/s41524-019-0236-6).
* Workflow to train accurate interatomic potentials for harmonic phonon properties. The implementation automates the ideas from the following article: [*J. Chem. Phys.* **153**, 044104 (2020)](https://pubs.aip.org/aip/jcp/article/153/4/044104/1056348/Combining-phonon-accuracy-with-high).

0 comments on commit 3e0b5c5

Please sign in to comment.