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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:5/0
  |  
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
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  |  
浏览/下载:7/0
  |  
提交时间:2022/04/02
Density functional theory
Electronic structure calculations
Kohn-Sham energy functional minimization problem
Parallel orbital-updating
Optimization method
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
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  |  
浏览/下载:2/0
  |  
提交时间:2021/04/26
density functional theory
dynamical system
gradient flow
orthogonality preserving
eigenvalue problem
energy minimization
Simulation and evaluation of utilization pathways of biomasses based on thermodynamic data prediction
期刊论文
Energy, 2019
作者:
Hongliang Qian
;
Wei Chen
;
Weiwei Zhu
;
Chang Liu
;
Xiaohua Lu
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  |  
浏览/下载:10/0
  |  
提交时间:2019/12/17
Biomass
utilization
Gibbs
energy
minimization
PBMP
model
Process
evaluation
Functional
exergy
efficiency
Energy estimates and symmetry breaking in attractive Bose-Einstein condensates with ring-shaped potentials
期刊论文
ANNALES DE L INSTITUT HENRI POINCARE-ANALYSE NON LINEAIRE, 2016, 卷号: 33, 期号: 3, 页码: 809-828
作者:
Guo, Yujin
;
Zeng, Xiaoyu
;
Zhou, Huan-Song
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  |  
浏览/下载:13/0
  |  
提交时间:2016/07/12
Nonlinear elliptic equation
Constrained minimization
Gross-Pitaevskii functional
Bose-Einstein condensates
Attractive interactions
Ring-shaped potential
Levitation properties of maglev systems using soft ferromagnets
期刊论文
SUPERCONDUCTOR SCIENCE & TECHNOLOGY, 2015, 卷号: 28, 期号: 3, 页码: -
作者:
Huang, CG
;
Zhou, YH
;
Huang, CG (reprint author), Lanzhou Univ, Dept Mech & Engn Sci, Key Lab Mech Environm & Disaster Western China, Minist Educ China,Coll Civil Engn & Mech, Lanzhou 730000, Gansu, Peoples R China.
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浏览/下载:26/0
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提交时间:2016/07/27
maglev systems
levitation performance
soft ferromagnets
functional minimization
Study of The Influence of Soft Ferromagnet Location and Dimensions on The Levitation Performance for Maglev Systems
会议论文
International Conference on Numerical Analysis and Applied Mathematics (ICNAAM), Rhodes, GREECE, SEP 22-28, 2014
作者:
Huang, CG
;
Zhou, YH
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浏览/下载:6/0
  |  
提交时间:2017/01/18
Levitation force
Stability
Maglev system
Soft ferromagnet
Functional minimization
A variational-difference numerical method for designing progressive-addition lenses
期刊论文
COMPUTER-AIDED DESIGN, 2014, 卷号: 48
作者:
Jiang, Wei
;
Bao, Weizhu
;
Tang, Qinglin
;
Wang, Hanquan
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  |  
浏览/下载:11/0
  |  
提交时间:2019/12/05
Progressive-addition lens
Variational-difference method
Linearization
Background surface
Functional minimization problem
Linear Scaling Discontinuous Galerkin Density Matrix Minimization Method with Local Orbital Enriched Finite Element Basis: 1-D Lattice Model System
其他
2013-01-01
Lu, Tiao
;
Cai, Wei
;
Xin, Jianguo
;
Guo, Yinglong
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  |  
浏览/下载:2/0
  |  
提交时间:2015/11/13
Density functional theory
density matrix minimization
discontinuous Galerkin method
linear scaling method.
ELECTRONIC-STRUCTURE CALCULATIONS
MOLECULAR-DYNAMICS
FUNCTIONAL THEORY
An ILP-based algorithm for peak power and max module power minimization in behavioral synthesis
期刊论文
2010, 2010
Liu Zhipeng
;
Bian Jinian
;
Zhao Zhen
;
Zhou Qiang
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浏览/下载:3/0
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