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41 changes: 41 additions & 0 deletions source/_data/pub.bib
Original file line number Diff line number Diff line change
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@Article{Zeng_JChemTheoryComput_2025_v21_p4375,
author = {Jinzhe Zeng and Duo Zhang and Anyang Peng and Xiangyu Zhang and Sensen
He and Yan Wang and Xinzijian Liu and Hangrui Bi and Yifan Li and Chun
Cai and Chengqian Zhang and Yiming Du and Jia-Xin Zhu and Pinghui Mo
and Zhengtao Huang and Qiyu Zeng and Shaochen Shi and Xuejian Qin and
Zhaoxi Yu and Chenxing Luo and Ye Ding and Yun-Pei Liu and Ruosong Shi
and Zhenyu Wang and Sigbj{\o}rn L{\o}land Bore and Junhan Chang and
Zhe Deng and Zhaohan Ding and Siyuan Han and Wanrun Jiang and Guolin
Ke and Zhaoqing Liu and Denghui Lu and Koki Muraoka and Hananeh Oliaei
and Anurag Kumar Singh and Haohui Que and Weihong Xu and Zhangmancang
Xu and Yong-Bin Zhuang and Jiayu Dai and Timothy J. Giese and Weile
Jia and Ben Xu and Darrin M. York and Linfeng Zhang and Han Wang},
title = {{DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning
Potentials}},
journal = {J. Chem. Theory Comput.},
year = 2025,
volume = 21,
number = 9,
pages = {4375--4385},
doi = {10.1021/acs.jctc.5c00340},
abstract = {In recent years, machine learning potentials (MLPs) have become
indispensable tools in physics, chemistry, and materials science,
driving the development of software packages for molecular dynamics
(MD) simulations and related applications. These packages, typically
built on specific machine learning frameworks, such as TensorFlow,
PyTorch, or JAX, face integration challenges when advanced
applications demand communication across different frameworks. The
previous TensorFlow-based implementation of the DeePMD-kit exemplified
these limitations. In this work, we introduce DeePMD-kit version 3, a
significant update featuring a multibackend framework that supports
TensorFlow, PyTorch, JAX, and PaddlePaddle backends, and demonstrate
the versatility of this architecture through the integration of other
MLP packages and of differentiable molecular force fields. This
architecture allows seamless back-end switching with minimal
modifications, enabling users and developers to integrate DeePMD-kit
with other packages using different machine learning frameworks. This
innovation facilitates the development of more complex and
interoperable workflows, paving the way for broader applications of
MLPs in scientific research.},
}

@Article{Luo_2DMater_2025_v12_p15022,
author = {Jiangbo Luo and Xudong Zhu and Xu Lian and Yuntian Zheng and Reshmi
Thottathil and Wei Chen and Song Liu and A Ariando and Junxiong Hu},
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