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Lin-Wang Wang
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2020 – today
- 2024
- [j17]Yujin Yan, Hai-Bo Li, Tong Zhao, Lin-Wang Wang, Lin Shi, Tao Liu, Guangming Tan, Weile Jia, Ninghui Sun:
10-Million Atoms Simulation of First-Principle Package LS3DF. J. Comput. Sci. Technol. 39(2): 45-62 (2024) - [c8]Siyu Hu, Tong Zhao, Qiuchen Sha, Enji Li, Xiangyu Meng, Liping Liu, Lin-Wang Wang, Guangming Tan, Weile Jia:
Training one DeePMD Model in Minutes: a Step towards Online Learning. PPoPP 2024: 257-269 - 2023
- [c7]Siyu Hu, Wentao Zhang, Qiuchen Sha, Feng Pan, Lin-Wang Wang, Weile Jia, Guangming Tan, Tong Zhao:
RLEKF: An Optimizer for Deep Potential with Ab Initio Accuracy. AAAI 2023: 7910-7918 - 2021
- [j16]Meng Ye, Xiangwei Jiang, Shu-Shen Li, Lin-Wang Wang:
Large-scale first-principles quantum transport simulations using plane wave basis set on high performance computing platforms. Comput. Phys. Commun. 260: 107737 (2021) - [c6]Doru-Thom Popovici, Andrew Canning, Zhengji Zhao, Lin-Wang Wang, John Shalf:
A systematic approach to improving data locality across Fourier transforms and linear algebra operations. ICS 2021: 329-341
2010 – 2019
- 2019
- [c5]Weile Jia, Lin-Wang Wang, Lin Lin:
Parallel transport time-dependent density functional theory calculations with hybrid functional on summit. SC 2019: 79:1-79:23 - 2017
- [j15]Weile Jia, Jue Wang, Xuebin Chi, Lin-Wang Wang:
GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations. Comput. Phys. Commun. 211: 8-15 (2017) - [j14]Zhanghui Chen, Weile Jia, Xiangwei Jiang, Shu-Shen Li, Lin-Wang Wang:
SGO: A fast engine for ab initio atomic structure global optimization by differential evolution. Comput. Phys. Commun. 219: 35-44 (2017) - 2016
- [j13]Christopher Barrett, Lin-Wang Wang:
A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures. Comput. Phys. Commun. 200: 27-36 (2016) - 2013
- [j12]Weile Jia, Zongyan Cao, Long Wang, Jiyun Fu, Xuebin Chi, Weiguo Gao, Lin-Wang Wang:
The analysis of a plane wave pseudopotential density functional theory code on a GPU machine. Comput. Phys. Commun. 184(1): 9-18 (2013) - [j11]Xiangwei Jiang, Shu-Shen Li, Lin-Wang Wang:
A small box Fast Fourier Transformation method for fast Poisson solutions in large systems. Comput. Phys. Commun. 184(12): 2693-2702 (2013) - [j10]Zhanghui Chen, Xiangwei Jiang, Jingbo Li, Shu-Shen Li, Linwang Wang:
PDECO: Parallel differential evolution for clusters optimization. J. Comput. Chem. 34(12): 1046-1059 (2013) - [j9]Weile Jia, Jiyun Fu, Zongyan Cao, Long Wang, Xuebin Chi, Weiguo Gao, Lin-Wang Wang:
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines. J. Comput. Phys. 251: 102-115 (2013) - 2011
- [c4]Long Wang, Yue Wu, Weile Jia, Weiguo Gao, Xuebin Chi, Lin-Wang Wang:
Large scale plane wave pseudopotential density functional theory calculations on GPU clusters. SC 2011: 71:1-71:10 - 2010
- [j8]Ichitaro Yamazaki, Zhaojun Bai, Horst D. Simon, Lin-Wang Wang, Kesheng Wu:
Adaptive Projection Subspace Dimension for the Thick-Restart Lanczos Method. ACM Trans. Math. Softw. 37(3): 27:1-27:18 (2010)
2000 – 2009
- 2009
- [j7]Chao Yang, Juan C. Meza, Byounghak Lee, Lin-Wang Wang:
KSSOLV - a MATLAB toolbox for solving the Kohn-Sham equations. ACM Trans. Math. Softw. 36(2): 10:1-10:35 (2009) - [c3]Andrew Canning, John Shalf, Lin-Wang Wang, Harvey J. Wasserman, Manisha Gajbe:
A Comparison of Different Communication Structures for Scalable Parallel Three Dimensional FFTs in First Principles Codes. PARCO 2009: 107-116 - 2008
- [j6]Christof Vömel, Stanimire Tomov, Osni A. Marques, Andrew Canning, Lin-Wang Wang, Jack J. Dongarra:
State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems. J. Comput. Phys. 227(15): 7113-7124 (2008) - [c2]Lin-Wang Wang, Byounghak Lee, Hongzhang Shan, Zhengji Zhao, Juan C. Meza, Erich Strohmaier, David H. Bailey:
Linearly scaling 3D fragment method for large-scale electronic structure calculations. SC 2008: 65 - 2007
- [j5]Christof Vömel, Stanimire Tomov, Lin-Wang Wang, Osni A. Marques, Jack J. Dongarra:
The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot. J. Comput. Phys. 223(2): 774-782 (2007) - [j4]Peter A. Graf, Kwiseon Kim, Wesley B. Jones, Lin-Wang Wang:
Surface passivation optimization using DIRECT. J. Comput. Phys. 224(2): 824-835 (2007) - [j3]Chao Yang, Juan C. Meza, Lin-Wang Wang:
A Trust Region Direct Constrained Minimization Algorithm for the Kohn-Sham Equation. SIAM J. Sci. Comput. 29(5): 1854-1875 (2007) - 2006
- [j2]Stanimire Tomov, Julien Langou, Jack J. Dongarra, Andrew Canning, Lin-Wang Wang:
Conjugate-gradient eigenvalue solvers in computing electronic properties of nanostructure architectures. Int. J. Comput. Sci. Eng. 2(3/4): 205-212 (2006) - [j1]Chao Yang, Juan C. Meza, Lin-Wang Wang:
A constrained optimization algorithm for total energy minimization in electronic structure calculations. J. Comput. Phys. 217(2): 709-721 (2006) - 2005
- [c1]Stanimire Tomov, Julien Langou, Andrew Canning, Lin-Wang Wang, Jack J. Dongarra:
Comparison of Nonlinear Conjugate-Gradient Methods for Computing the Electronic Properties of Nanostructure Architectures. International Conference on Computational Science (3) 2005: 317-325
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