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update publications of works using deepmd-kit
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source/_data/pub.bib

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@article{Guo2025DeepEMs25_DEEPMD,
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title = {DeepEMs-25: a deep-learning potential to decipher kinetic tug-of-war dictating thermal stability in energetic materials},
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author = {Guo, Ming-Yu and Yan, Yun-Fan and Chen, Pin and Zhang, Wei-Xiong},
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journal = {npj Computational Materials},
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volume = {11},
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number = {1},
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pages = {246},
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year = {2025},
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publisher = {Nature Publishing Group},
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doi = {10.1038/s41524-025-01739-7},
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url = {https://www.nature.com/articles/s41524-025-01739-7}
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}
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@Article{Infuso2025DeepPotentialDrivenMolecularDynamics_DEEPMD,
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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},
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title = {Deep potential-driven molecular dynamics of CO ice analogs: Investigating desorption following vibrational excitation},
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journal = {The Journal of Chemical Physics},
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volume = {163},
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number = {8},
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pages = {084303},
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year = {2025},
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doi = {10.1063/5.0285103},
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url = {https://doi.org/10.1063/5.0285103}
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}
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@Article{Chandran2024ComparativeAnalysisTernaryTiAlNb_DEEPMD,
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author = {Chandran, Anju and Santhosh, Archa and Pistidda, Claudio and Jerabek, Paul and Aydin, Roland C. and Cyron, Christian J.},
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title = {Comparative analysis of ternary {\( \text{Ti–Al–Nb} \)} interatomic potentials: moment tensor vs. deep learning approaches},
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journal = {Frontiers in Materials},
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volume = {11},
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year = {2024},
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doi = {10.3389/fmats.2024.1466793},
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url = {https://doi.org/10.3389/fmats.2024.1466793}
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}
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@Article{Gu2024DeepLearningTightBinding_DEEPMD,
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author = {Gu, Qiangqiang and Zhouyin, Zhanghao and Pandey, Shishir Kumar and Zhang, Peng and Zhang, Linfeng and E, Weinan},
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title = {Deep learning tight-binding approach for large‐scale electronic simulations at finite temperatures with ab initio accuracy},
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journal = {Nature Communications},
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volume = {15},
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number = {1},
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pages = {6772},
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year = {2024},
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doi = {10.1038/s41467-024-51006-4},
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url = {https://doi.org/10.1038/s41467-024-51006-4}
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}
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@Article{Zhu_npjDrugDiscov_2025_v2_p1,
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author = {Hui Zhu and Xuelian Li and Baoquan Chen and Niu Huang},
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title = {{Augmented BindingNet dataset for enhanced ligand binding pose

source/papers/deepmd-kit/index.md

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Last update date: June 30, 2024
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## 2025
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{% publications %}
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Guo2025DeepEMs25_DEEPMD,
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Infuso2025DeepPotentialDrivenMolecularDynamics_DEEPMD
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{% endpublications %}
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## 2024
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{% publications %}
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Chandran2024ComparativeAnalysisTernaryTiAlNb_DEEPMD,
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Gu2024DeepLearningTightBinding_DEEPMD,
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Chen_MatterRadiatExtrem_2024_v9,
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Zhang_AcsPhysChemAu_2024,
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Zhang_NatCommun_2024_v15_p4223,

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