|
| 1 | +@article{Guo2025DeepEMs25_DEEPMD, |
| 2 | + title = {DeepEMs-25: a deep-learning potential to decipher kinetic tug-of-war dictating thermal stability in energetic materials}, |
| 3 | + author = {Guo, Ming-Yu and Yan, Yun-Fan and Chen, Pin and Zhang, Wei-Xiong}, |
| 4 | + journal = {npj Computational Materials}, |
| 5 | + volume = {11}, |
| 6 | + number = {1}, |
| 7 | + pages = {246}, |
| 8 | + year = {2025}, |
| 9 | + publisher = {Nature Publishing Group}, |
| 10 | + doi = {10.1038/s41524-025-01739-7}, |
| 11 | + url = {https://www.nature.com/articles/s41524-025-01739-7} |
| 12 | +} |
| 13 | + |
| 14 | + |
| 15 | +@Article{Infuso2025DeepPotentialDrivenMolecularDynamics_DEEPMD, |
| 16 | + 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}, |
| 17 | + title = {Deep potential-driven molecular dynamics of CO ice analogs: Investigating desorption following vibrational excitation}, |
| 18 | + journal = {The Journal of Chemical Physics}, |
| 19 | + volume = {163}, |
| 20 | + number = {8}, |
| 21 | + pages = {084303}, |
| 22 | + year = {2025}, |
| 23 | + doi = {10.1063/5.0285103}, |
| 24 | + url = {https://doi.org/10.1063/5.0285103} |
| 25 | +} |
| 26 | + |
| 27 | +@Article{Chandran2024ComparativeAnalysisTernaryTiAlNb_DEEPMD, |
| 28 | + author = {Chandran, Anju and Santhosh, Archa and Pistidda, Claudio and Jerabek, Paul and Aydin, Roland C. and Cyron, Christian J.}, |
| 29 | + title = {Comparative analysis of ternary {\( \text{Ti–Al–Nb} \)} interatomic potentials: moment tensor vs. deep learning approaches}, |
| 30 | + journal = {Frontiers in Materials}, |
| 31 | + volume = {11}, |
| 32 | + year = {2024}, |
| 33 | + doi = {10.3389/fmats.2024.1466793}, |
| 34 | + url = {https://doi.org/10.3389/fmats.2024.1466793} |
| 35 | +} |
| 36 | + |
| 37 | +@Article{Gu2024DeepLearningTightBinding_DEEPMD, |
| 38 | + author = {Gu, Qiangqiang and Zhouyin, Zhanghao and Pandey, Shishir Kumar and Zhang, Peng and Zhang, Linfeng and E, Weinan}, |
| 39 | + title = {Deep learning tight-binding approach for large‐scale electronic simulations at finite temperatures with ab initio accuracy}, |
| 40 | + journal = {Nature Communications}, |
| 41 | + volume = {15}, |
| 42 | + number = {1}, |
| 43 | + pages = {6772}, |
| 44 | + year = {2024}, |
| 45 | + doi = {10.1038/s41467-024-51006-4}, |
| 46 | + url = {https://doi.org/10.1038/s41467-024-51006-4} |
| 47 | +} |
| 48 | + |
1 | 49 | @Article{Zhu_npjDrugDiscov_2025_v2_p1, |
2 | 50 | author = {Hui Zhu and Xuelian Li and Baoquan Chen and Niu Huang}, |
3 | 51 | title = {{Augmented BindingNet dataset for enhanced ligand binding pose |
|
0 commit comments