From 3c96e95ef1d2be88a654de056ca5fb9940547ac2 Mon Sep 17 00:00:00 2001 From: KashaDong Date: Wed, 5 Nov 2025 18:28:57 +0800 Subject: [PATCH] update publications of works using deepmd-kit --- source/_data/pub.bib | 48 +++++++++++++++++++++++++++++++ source/papers/deepmd-kit/index.md | 8 ++++++ 2 files changed, 56 insertions(+) diff --git a/source/_data/pub.bib b/source/_data/pub.bib index 5b6d4bf1..83496454 100644 --- a/source/_data/pub.bib +++ b/source/_data/pub.bib @@ -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 diff --git a/source/papers/deepmd-kit/index.md b/source/papers/deepmd-kit/index.md index e4df816f..7747a684 100644 --- a/source/papers/deepmd-kit/index.md +++ b/source/papers/deepmd-kit/index.md @@ -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,