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A parallel orbital-updating based optimization method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 445, 页码: 17
作者:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Xin;  Zhou, Aihui
收藏  |  浏览/下载：133/0  |  提交时间：2022/04/02
Density functional theory  Electronic structure calculations  Kohn-Sham energy functional minimization problem  Parallel orbital-updating  Optimization method  
Optimal design for kernel interpolation: Applications to uncertainty quantification 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 430, 页码: 19
作者:  Narayan, Akil;  Yan, Liang;  Zhou, Tao
收藏  |  浏览/下载：166/0  |  提交时间：2021/04/26
Kernel interpolation  Fekete points  Cholesky decomposition with pivoting  Hermite interpolation  Uncertainty quantification  
A constrained transport divergence-free finite element method for incompressible MHD equations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 428, 页码: 22
作者:  Li, Lingxiao;  Zhang, Donghang;  Zheng, Weiying
收藏  |  浏览/下载：165/0  |  提交时间：2021/04/26
Magnetohydrodynamic equations  Constrained transport  Magnetic vector potential  Divergence-free finite element method  Block preconditioner  
A high-order three-scale reduced homogenization for nonlinear heterogeneous materials with multiple configurations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 425, 页码: 25
作者:  Yang, Zhiqiang;  Sun, Yi;  Cui, Junzhi;  Ma, Qiang
收藏  |  浏览/下载：166/0  |  提交时间：2021/04/26
HTRH algorithms  Reduced order homogenization  Micro-meso-macro formulations  Multiple configurations