Skip to content

Commit b26f9d7

Browse files
Update pub.bib (#288)
1 parent fc634e6 commit b26f9d7

File tree

1 file changed

+41
-0
lines changed

1 file changed

+41
-0
lines changed

source/_data/pub.bib

Lines changed: 41 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1,3 +1,44 @@
1+
@Article{Zeng_JChemTheoryComput_2025_v21_p4375,
2+
author = {Jinzhe Zeng and Duo Zhang and Anyang Peng and Xiangyu Zhang and Sensen
3+
He and Yan Wang and Xinzijian Liu and Hangrui Bi and Yifan Li and Chun
4+
Cai and Chengqian Zhang and Yiming Du and Jia-Xin Zhu and Pinghui Mo
5+
and Zhengtao Huang and Qiyu Zeng and Shaochen Shi and Xuejian Qin and
6+
Zhaoxi Yu and Chenxing Luo and Ye Ding and Yun-Pei Liu and Ruosong Shi
7+
and Zhenyu Wang and Sigbj{\o}rn L{\o}land Bore and Junhan Chang and
8+
Zhe Deng and Zhaohan Ding and Siyuan Han and Wanrun Jiang and Guolin
9+
Ke and Zhaoqing Liu and Denghui Lu and Koki Muraoka and Hananeh Oliaei
10+
and Anurag Kumar Singh and Haohui Que and Weihong Xu and Zhangmancang
11+
Xu and Yong-Bin Zhuang and Jiayu Dai and Timothy J. Giese and Weile
12+
Jia and Ben Xu and Darrin M. York and Linfeng Zhang and Han Wang},
13+
title = {{DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning
14+
Potentials}},
15+
journal = {J. Chem. Theory Comput.},
16+
year = 2025,
17+
volume = 21,
18+
number = 9,
19+
pages = {4375--4385},
20+
doi = {10.1021/acs.jctc.5c00340},
21+
abstract = {In recent years, machine learning potentials (MLPs) have become
22+
indispensable tools in physics, chemistry, and materials science,
23+
driving the development of software packages for molecular dynamics
24+
(MD) simulations and related applications. These packages, typically
25+
built on specific machine learning frameworks, such as TensorFlow,
26+
PyTorch, or JAX, face integration challenges when advanced
27+
applications demand communication across different frameworks. The
28+
previous TensorFlow-based implementation of the DeePMD-kit exemplified
29+
these limitations. In this work, we introduce DeePMD-kit version 3, a
30+
significant update featuring a multibackend framework that supports
31+
TensorFlow, PyTorch, JAX, and PaddlePaddle backends, and demonstrate
32+
the versatility of this architecture through the integration of other
33+
MLP packages and of differentiable molecular force fields. This
34+
architecture allows seamless back-end switching with minimal
35+
modifications, enabling users and developers to integrate DeePMD-kit
36+
with other packages using different machine learning frameworks. This
37+
innovation facilitates the development of more complex and
38+
interoperable workflows, paving the way for broader applications of
39+
MLPs in scientific research.},
40+
}
41+
142
@Article{Luo_2DMater_2025_v12_p15022,
243
author = {Jiangbo Luo and Xudong Zhu and Xu Lian and Yuntian Zheng and Reshmi
344
Thottathil and Wei Chen and Song Liu and A Ariando and Junxiong Hu},

0 commit comments

Comments
 (0)