Lin-Wang Wang

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 10

Top Topics

Gpu Implementation

Global Optimization

Top Venues

Comput. Phys. Commun.

J. Comput. Sci. Technol.

Publications

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) (2024)
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 (1) (2024)
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)
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)
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 (2021)
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)
Weile Jia, Lin-Wang Wang, Lin Lin
Parallel transport time-dependent density functional theory calculations with hybrid functional on summit. SC (2019)
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 (2017)
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 (2017)
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 (2016)
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) (2013)
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 (2013)
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) (2013)
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)
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) (2010)
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) (2009)
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)
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) (2008)
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)
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) (2007)
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) (2007)
Peter A. Graf, Kwiseon Kim, Wesley B. Jones, Lin-Wang Wang
Surface passivation optimization using DIRECT. J. Comput. Phys. 224 (2) (2007)
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) (2006)
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) (2006)
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)