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GAUDRY Emilie
MachineLearning_Al13Co4_PES
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5fce2a3f
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5fce2a3f
authored
9 months ago
by
BOULANGEOT Nathan
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@@ -37,8 +37,8 @@ The data "final.traj" located in the folder "data_Al13Co4" consist of the 20 $\t
## Citation
```
@inproceedings{
Agazzotti23deep
,
author = {Boulangeot, Nathan
and
Brix, Florian
and
Sur, Frédéric
and
Gaudry, Émilie},
@inproceedings{
Boulangeot24hyd
,
author = {Boulangeot, Nathan
,
Brix, Florian
,
Sur, Frédéric
,
Gaudry, Émilie},
title = {Hydrogen, oxygen and lead adsorbates onAl13Co4(100) : accurate potential energysurfaces at low computational cost bymachine learning and DFT-based data},
journal = {Journal of Chemical Theory and Computation},
year = {2024},
...
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