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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：115/0  |  提交时间：2023/02/07
Key words  density functional theory  all-electron calculations  total energy minimization  orthogonalization-free  scalability  
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：116/0  |  提交时间：2022/04/02
Density functional theory  Electronic structure calculations  Kohn-Sham energy functional minimization problem  Parallel orbital-updating  Optimization method  
Normalized solutions to the Chern-Simons-Schrodinger system 期刊论文
JOURNAL OF FUNCTIONAL ANALYSIS, 2021, 卷号: 280, 期号: 5, 页码: 65
作者:  Gou, Tianxiang;  Zhang, Zhitao
收藏  |  浏览/下载：169/0  |  提交时间：2021/04/26
Chern-Simons-Schrodinger system  Normalized solutions  Standing waves  Orbital instability  
A phase field framework for dynamic adiabatic shear banding 期刊论文
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2020, 卷号: 135, 页码: 19
作者:  Xu, Yun;  Ming, Pingbing;  Chen, Jun
收藏  |  浏览/下载：181/0  |  提交时间：2020/05/24
Phase field  Variational formulation  Adiabatic shear bands  Strain gradient theory  Finite element simulation  
Game-theoretical explorations of the mesoscale flow structure and regime transitions in bubble columns 期刊论文
PARTICUOLOGY, 2020, 卷号: 48, 页码: 100-108
作者:  Yuan, Shuo;  Mu, Yifen;  Guan, Xiaoping;  Liu, Zhixin;  Chen, Jianhua;  Yang, Ning;  Zhang, Lin
收藏  |  浏览/下载：195/0  |  提交时间：2020/05/24
Bubble column  Mesoscale  Regime transition  Game theory  Generalized Nash equilibrium  EMMS model  
GRADIENT FLOW BASED KOHN-SHAM DENSITY FUNCTIONAL THEORY MODEL 期刊论文
MULTISCALE MODELING & SIMULATION, 2020, 卷号: 18, 期号: 4, 页码: 1621-1663
作者:  Dai, Xiaoying;  Wang, Qiao;  Zhou, Aihui
收藏  |  浏览/下载：134/0  |  提交时间：2021/04/26
density functional theory  dynamical system  gradient flow  orthogonality preserving  eigenvalue problem  energy minimization  
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：168/0  |  提交时间：2020/01/10
optimization with orthogonality constraints  structured quasi-Newton method  limited-memory Nystrom approximation  Hartree-Fock total energy minimization  
The Game Theoretical Approach for Multi-phase Complex Systems in Chemical Engineering 期刊论文
JOURNAL OF SYSTEMS SCIENCE & COMPLEXITY, 2017, 卷号: 30, 期号: 1, 页码: 4-19
作者:  Li Yan;  Mu Yifen;  Yuan Shuo;  Guo Lei
收藏  |  浏览/下载：130/0  |  提交时间：2018/07/30
Game theory  gas-solid fluidization  generalized Nash equilibrium  multi-phase complex systems  turbulent flow  
thegametheoreticalapproachformultiphasecomplexsystemsinchemicalengineering 期刊论文
journalofsystemsscienceandcomplexity, 2017, 卷号: 30, 期号: 1, 页码: 4
作者:  Li Yan;  Mu Yifen;  Yuan Shuo;  Guo Lei
收藏  |  浏览/下载：148/0  |  提交时间：2020/01/10
A GENERALIZED SAMPLING AND PRECONDITIONING SCHEME FOR SPARSE APPROXIMATION OF POLYNOMIAL CHAOS EXPANSIONS 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2017, 卷号: 39, 期号: 3, 页码: A1114-A1144
作者:  Jakeman, John D.;  Narayan, Akil;  Zhou, Tao
收藏  |  浏览/下载：121/0  |  提交时间：2018/07/30
uncertainty quantification  polynomial chaos  compressed sensing