Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Lu, Denghui"'
Autor:
Zeng, Jinzhe, Zhang, Duo, Lu, Denghui, Mo, Pinghui, Li, Zeyu, Chen, Yixiao, Rynik, Marián, Huang, Li'ang, Li, Ziyao, Shi, Shaochen, Wang, Yingze, Ye, Haotian, Tuo, Ping, Yang, Jiabin, Ding, Ye, Li, Yifan, Tisi, Davide, Zeng, Qiyu, Bao, Han, Xia, Yu, Huang, Jiameng, Muraoka, Koki, Wang, Yibo, Chang, Junhan, Yuan, Fengbo, Bore, Sigbjørn Løland, Cai, Chun, Lin, Yinnian, Wang, Bo, Xu, Jiayan, Zhu, Jia-Xin, Luo, Chenxing, Zhang, Yuzhi, Goodall, Rhys E. A., Liang, Wenshuo, Singh, Anurag Kumar, Yao, Sikai, Zhang, Jingchao, Wentzcovitch, Renata, Han, Jiequn, Liu, Jie, Jia, Weile, York, Darrin M., E, Weinan, Car, Roberto, Zhang, Linfeng, Wang, Han
Publikováno v:
J. Chem. Phys. 159, 054801 (2023)
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the f
Externí odkaz:
http://arxiv.org/abs/2304.09409
Autor:
Guo, Zhuoqiang, Lu, Denghui, Yan, Yujin, Hu, Siyu, Liu, Rongrong, Tan, Guangming, Sun, Ninghui, Jiang, Wanrun, Liu, Lijun, Chen, Yixiao, Zhang, Linfeng, Chen, Mohan, Wang, Han, Jia, Weile
High-performance computing, together with a neural network model trained from data generated with first-principles methods, has greatly boosted applications of \textit{ab initio} molecular dynamics in terms of spatial and temporal scales on modern su
Externí odkaz:
http://arxiv.org/abs/2201.01446
Machine-learning-based interatomic potential energy surface (PES) models are revolutionizing the field of molecular modeling. However, although much faster than electronic structure schemes, these models suffer from costly computations via deep neura
Externí odkaz:
http://arxiv.org/abs/2107.02103
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase transformations where there exist some large discrepancies between ex
Externí odkaz:
http://arxiv.org/abs/2006.13136
Autor:
Jia, Weile, Wang, Han, Chen, Mohan, Lu, Denghui, Lin, Lin, Car, Roberto, E, Weinan, Zhang, Linfeng
For 35 years, {\it ab initio} molecular dynamics (AIMD) has been the method of choice for modeling complex atomistic phenomena from first principles. However, most AIMD applications are limited by computational cost to systems with thousands of atoms
Externí odkaz:
http://arxiv.org/abs/2005.00223
Autor:
Lu, Denghui, Wang, Han, Chen, Mohan, Liu, Jiduan, Lin, Lin, Car, Roberto, E, Weinan, Jia, Weile, Zhang, Linfeng
We present the GPU version of DeePMD-kit, which, upon training a deep neural network model using ab initio data, can drive extremely large-scale molecular dynamics (MD) simulation with ab initio accuracy. Our tests show that the GPU version is 7 time
Externí odkaz:
http://arxiv.org/abs/2004.11658
Publikováno v:
In Construction and Building Materials 28 February 2022 321
Autor:
Lu, Denghui, Wang, Han, Chen, Mohan, Lin, Lin, Car, Roberto, E, Weinan, Jia, Weile, Zhang, Linfeng
Publikováno v:
In Computer Physics Communications February 2021 259
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Publikováno v:
In Dyes and Pigments July 2018 154:21-29