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48 changes: 48 additions & 0 deletions source/_data/pub.bib
Original file line number Diff line number Diff line change
@@ -1,3 +1,51 @@
@article{Guo2025DeepEMs25_DEEPMD,
title = {DeepEMs-25: a deep-learning potential to decipher kinetic tug-of-war dictating thermal stability in energetic materials},
author = {Guo, Ming-Yu and Yan, Yun-Fan and Chen, Pin and Zhang, Wei-Xiong},
journal = {npj Computational Materials},
volume = {11},
number = {1},
pages = {246},
year = {2025},
publisher = {Nature Publishing Group},
doi = {10.1038/s41524-025-01739-7},
url = {https://www.nature.com/articles/s41524-025-01739-7}
}


@Article{Infuso2025DeepPotentialDrivenMolecularDynamics_DEEPMD,
author = {Infuso, Maxime and Del Fré, Samuel and Alou Angulo, Gilberto A. and Bertin, Mathieu and Fillion, Jean-Hugues and Rivero Santamaría, Alejandro and Monnerville, Maurice},
title = {Deep potential-driven molecular dynamics of CO ice analogs: Investigating desorption following vibrational excitation},
journal = {The Journal of Chemical Physics},
volume = {163},
number = {8},
pages = {084303},
year = {2025},
doi = {10.1063/5.0285103},
url = {https://doi.org/10.1063/5.0285103}
}

@Article{Chandran2024ComparativeAnalysisTernaryTiAlNb_DEEPMD,
author = {Chandran, Anju and Santhosh, Archa and Pistidda, Claudio and Jerabek, Paul and Aydin, Roland C. and Cyron, Christian J.},
title = {Comparative analysis of ternary {\( \text{Ti–Al–Nb} \)} interatomic potentials: moment tensor vs. deep learning approaches},
journal = {Frontiers in Materials},
volume = {11},
year = {2024},
doi = {10.3389/fmats.2024.1466793},
url = {https://doi.org/10.3389/fmats.2024.1466793}
}

@Article{Gu2024DeepLearningTightBinding_DEEPMD,
author = {Gu, Qiangqiang and Zhouyin, Zhanghao and Pandey, Shishir Kumar and Zhang, Peng and Zhang, Linfeng and E, Weinan},
title = {Deep learning tight-binding approach for large‐scale electronic simulations at finite temperatures with ab initio accuracy},
journal = {Nature Communications},
volume = {15},
number = {1},
pages = {6772},
year = {2024},
doi = {10.1038/s41467-024-51006-4},
url = {https://doi.org/10.1038/s41467-024-51006-4}
}

@Article{Zhu_npjDrugDiscov_2025_v2_p1,
author = {Hui Zhu and Xuelian Li and Baoquan Chen and Niu Huang},
title = {{Augmented BindingNet dataset for enhanced ligand binding pose
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8 changes: 8 additions & 0 deletions source/papers/deepmd-kit/index.md
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Expand Up @@ -11,8 +11,16 @@ We encourage explicitly mentioning DeePMD-kit with proper citations in your publ

Last update date: June 30, 2024

## 2025
{% publications %}
Guo2025DeepEMs25_DEEPMD,
Infuso2025DeepPotentialDrivenMolecularDynamics_DEEPMD
{% endpublications %}

## 2024
{% publications %}
Chandran2024ComparativeAnalysisTernaryTiAlNb_DEEPMD,
Gu2024DeepLearningTightBinding_DEEPMD,
Chen_MatterRadiatExtrem_2024_v9,
Zhang_AcsPhysChemAu_2024,
Zhang_NatCommun_2024_v15_p4223,
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