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AN ORTHOGONALIZATION-FREE PARALLELIZABLE FRAMEWORK FOR ALL-ELECTRON CALCULATIONS IN DENSITY FUNCTIONAL THEORY 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2022, 卷号: 44, 期号: 3, 页码: B723-B745
作者:  Gao, Bin;  Hu, Guanghu;  Kuang, Yang;  Liu, Xin
收藏  |  浏览/下载:113/0  |  提交时间:2023/02/07
Key words  density functional theory  all-electron calculations  total energy minimization  orthogonalization-free  scalability  
AN EFFICIENT MULTIMODES MONTE CARLO HOMOGENIZATION METHOD FOR RANDOM MATERIALS 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2022, 卷号: 44, 期号: 3, 页码: A1752-A1774
作者:  Yang, Zihao;  Huang, Jizu;  Feng, Xiaobing;  Guan, Xiaofei
收藏  |  浏览/下载:59/0  |  提交时间:2023/02/07
stochastic homogenization  multimodes Monte Carlo method  finite element method  convergence and error estimates  random composite materials  
LOW-RANK MATRIX ITERATION USING POLYNOMIAL-FILTERED SUBSPACE EXTRACTION 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2020, 卷号: 42, 期号: 3, 页码: A1686-A1713
作者:  Li, Yongfeng;  Liu, Haoyang;  Wen, Zaiwen;  Yuan, Ya-Xiang
收藏  |  浏览/下载:161/0  |  提交时间:2020/09/23
low-rank matrix iteration  eigenvalue decomposition  inexact optimization method  polynomial filter  subspace extraction  
PARALLEL ENERGY-STABLE SOLVER FOR A COUPLED ALLEN-CAHN AND CAHN-HILLIARD SYSTEM 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2020, 卷号: 42, 期号: 5, 页码: C294-C312
作者:  Huang, Jizu;  Yang, Chao;  Wei, Ying
收藏  |  浏览/下载:146/0  |  提交时间:2021/04/26
coupled Allen-Cahn/Cahn-Hilliard system  discrete variational derivative method  unconditionally energy stable scheme  Newton-Krylov-Schwarz  domain decomposition method  
ACCELERATION OF THE TWO-LEVEL MGRIT ALGORITHM VIA THE DIAGONALIZATION TECHNIQUE 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2019, 卷号: 41, 期号: 5, 页码: A3421-A3448
作者:  Wu, Shu-Lin;  Zhou, Tao
收藏  |  浏览/下载:150/0  |  提交时间:2020/05/24
multigrid-reduction-in-time (MGRIT) algorithm  acceleration  convergence analysis  diagonalization technique  parallel coarse-grid-correction  
ON ENERGY DISSIPATION THEORY AND NUMERICAL STABILITY FOR TIME-FRACTIONAL PHASE-FIELD EQUATIONS 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2019, 卷号: 41, 期号: 6, 页码: A3757-A3778
作者:  Tang, Tao;  Yu, Haijun;  Zhou, Tao
收藏  |  浏览/下载:157/0  |  提交时间:2020/09/23
time-fractional phase-field equations  Allen-Cahn equation  Cahn-Hilliard equation  MBE model  energy dissipation law  maximum principle  
PARAREAL EXPONENTIAL theta-SCHEME FOR LONGTIME SIMULATION OF STOCHASTIC SCHRODINGER EQUATIONS WITH WEAK DAMPING 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2019, 卷号: 41, 期号: 6, 页码: B1155-B1177
作者:  Hong, Jialin;  Wang, Xu;  Zhang, Liying
收藏  |  浏览/下载:139/0  |  提交时间:2020/09/23
stochastic Schrodinger equation  parareal algorithm  exponential theta-scheme  invariant measure  
AN ADDITIVE OVERLAPPING DOMAIN DECOMPOSITION METHOD FOR THE HELMHOLTZ EQUATION 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2019, 卷号: 41, 期号: 2, 页码: A1252-A1277
作者:  Leng, Wei;  Ju, Lili
收藏  |  浏览/下载:176/0  |  提交时间:2020/01/10
additive domain decomposition method  Helmholtz equation  perfectly matched layer  truncated domain problem  error analysis  parallel computing  
A CHARGE-CONSERVATIVE FINITE ELEMENT METHOD FOR INDUCTIONLESS MHD EQUATIONS. PART I: CONVERGENCE 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2019, 卷号: 41, 期号: 4, 页码: B796-B815
作者:  Li, Lingxiao;  Ni, Mingjiu;  Zheng, Weiying
收藏  |  浏览/下载:242/0  |  提交时间:2020/01/10
inductionless MHD equations  block preconditioner  field-of-values-equivalence  conservation of charges  augmented Lagrangian finite element method  
STRUCTURED QUASI-NEWTON METHODS FOR OPTIMIZATION WITH ORTHOGONALITY CONSTRAINTS 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2019, 卷号: 41, 期号: 4, 页码: A2239-A2269
作者:  Hu, Jiang;  Jiang, Bo;  Lin, Lin;  Wen, Zaiwen;  Yuan, Ya-Xiang
收藏  |  浏览/下载:165/0  |  提交时间:2020/01/10
optimization with orthogonality constraints  structured quasi-Newton method  limited-memory Nystrom approximation  Hartree-Fock total energy minimization