From 08747c54d828f7c557d8f7d0b2b5176f1297de4a Mon Sep 17 00:00:00 2001 From: Wojciech Stark <66268167+wgst@users.noreply.github.com> Date: Mon, 12 Aug 2024 18:04:36 +0100 Subject: [PATCH] Update references --- docs/calculators/ace.md | 3 ++- docs/calculators/mace.md | 2 +- docs/calculators/reann.md | 4 +++- 3 files changed, 6 insertions(+), 3 deletions(-) diff --git a/docs/calculators/ace.md b/docs/calculators/ace.md index 86b21d6..946c402 100644 --- a/docs/calculators/ace.md +++ b/docs/calculators/ace.md @@ -66,4 +66,5 @@ sim = Simulation{Classical}(atoms, pes_model, cell=cell) ## References -[K. Schütt, O. Unke, M. Gastegger, Equivariant message passing for the prediction of tensorial properties and molecular spectra, PMLR 2021](https://proceedings.mlr.press/v139/schutt21a.html) +[R. Drautz, Atomic cluster expansion for accurate and transferable interatomic potentials, Phys. Rev. B Condens. Matter. 99, 014104, 2019](https://doi.org/10.1103/PhysRevB.99.014104) +[G. Dusson, M. Bachmayr, G. Csanyi, S. Etter, C. van der Oord, and C. Ortner, ACEpotentials.jl: A Julia implementation of the atomic cluster expansion, J. Chem. Phys. 159, 164101, 2023](https://doi.org/10.1063/5.0158783) \ No newline at end of file diff --git a/docs/calculators/mace.md b/docs/calculators/mace.md index 9c32962..adf1f9e 100644 --- a/docs/calculators/mace.md +++ b/docs/calculators/mace.md @@ -57,4 +57,4 @@ sim = Simulation{Classical}(atoms, pes_model, cell=cell) ## References -[K. Schütt, O. Unke, M. Gastegger, Equivariant message passing for the prediction of tensorial properties and molecular spectra, PMLR 2021](https://proceedings.mlr.press/v139/schutt21a.html) +[I. Batatia, D. P. Kovács, G. N. C. Simm, C. Ortner, G. Csányi, MACE: Higher order equivariant message passing neural networks for fast and accurate force fields, NeurIPS 2022](https://proceedings.neurips.cc/paper_files/paper/2022/file/4a36c3c51af11ed9f34615b81edb5bbc-Paper-Conference.pdf) diff --git a/docs/calculators/reann.md b/docs/calculators/reann.md index a838719..77039bd 100644 --- a/docs/calculators/reann.md +++ b/docs/calculators/reann.md @@ -61,4 +61,6 @@ sim = Simulation{Classical}(atoms, pes_model, cell=cell) ## References -[K. Schütt, O. Unke, M. Gastegger, Equivariant message passing for the prediction of tensorial properties and molecular spectra, PMLR 2021](https://proceedings.mlr.press/v139/schutt21a.html) +[Y. Zhang, C. Hu, B. Jiang, Embedded Atom Neural Network Potentials: Efficient and Accurate Machine Learning with a Physically Inspired Representation, J. Phys. Chem. Lett. 10, 4962−4967, 2019](http://dx.doi.org/10.1021/acs.jpclett.9b02037) + +[Y. Zhang, J. Xia, B. Jiang, Physically motivated recursively embedded atom neural networks: incorporating local completeness and nonlocality, Phys. Rev. Lett. 127, 156002, 2021](https://doi.org/10.1103/PhysRevLett.127.156002)