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Shock-induced plasticity and damage in single-crystalline Cu at elevated temperatures by molecular dynamics simulations 期刊论文
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2020, 卷号: 158, 页码: 17
作者:  Tian, Xia;  Cui, Junzhi;  Ma, Kaipeng;  Xiang, Meizhen
收藏  |  浏览/下载：165/0  |  提交时间：2020/09/23
Shock response  Temperature effects  Dislocation density  Spalling  Melting  Molecular dynamics simulations  
Plane wave methods for quantum eigenvalue problems of incommensurate systems 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2019, 卷号: 384, 页码: 99-113
作者:  Zhou, Yuzhi;  Chen, Huajie;  Zhou, Aihui
收藏  |  浏览/下载：109/0  |  提交时间：2019/12/13
Incommensurate system  Quantum eigenvalue problem  Plane wave  Density functional theory  
A mathematical aspect of Hohenberg-Kohn theorem 期刊论文
SCIENCE CHINA-MATHEMATICS, 2019, 卷号: 62, 期号: 1, 页码: 63-68
作者:  Zhou, Aihui
收藏  |  浏览/下载：137/0  |  提交时间：2019/03/05
density functional theory  electronic structure  unique continuation principle  Hohenberg-Kohn theorem  
A multilevel correction adaptive finite element method for Kohn-Sham equation 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2018, 卷号: 355, 页码: 436-449
作者:  Hu, Guanghui;  Xie, Hehu;  Xu, Fei
收藏  |  浏览/下载：159/0  |  提交时间：2018/07/30
Density functional theory  Kohn-Sham equation  Multilevel correction  Adaptive finite element method  
A lattice Boltzmann model for multiphase flows with moving contact line and variable density 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2018, 卷号: 353, 页码: 26-45
作者:  Huang, Jizu;  Wang, Xiao-Ping
收藏  |  浏览/下载：147/0  |  提交时间：2018/07/30
Lattice Boltzmann model  Variable density  Moving contact line  Slip boundary condition  
A SEMISMOOTH NEWTON METHOD FOR SEMIDEFINITE PROGRAMS AND ITS APPLICATIONS IN ELECTRONIC STRUCTURE CALCULATIONS 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2018, 卷号: 40, 期号: 6, 页码: A4131-A4157
作者:  Li, Yongfeng;  Wen, Zaiwen;  Yang, Chao;  Yuan, Ya-Xiang
收藏  |  浏览/下载：138/0  |  提交时间：2019/03/05
semidefinite programming  ADMM  semismooth Newton method  electronic structure calculation  two-body reduced density matrix  
A parallel orbital-updating based plane-wave basis method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2017, 卷号: 348, 页码: 482-492
作者:  Pan, Yan;  Dai, Xiaoying;  de Gironcoli, Stefano;  Gong, Xin-Gao;  Rignanese, Gian-Marco;  Zhou, Aihui
收藏  |  浏览/下载：126/0  |  提交时间：2018/07/30
Density functional theory  Electronic structure  Plane-wave  Parallel orbital-updating  
A CONJUGATE GRADIENT METHOD FOR ELECTRONIC STRUCTURE CALCULATIONS 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2017, 卷号: 39, 期号: 6, 页码: A2702-A2740
作者:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Liwei;  Zhou, Aihui
收藏  |  浏览/下载：115/0  |  提交时间：2018/07/30
conjugate gradient method  density functional theory  electronic structure  optimization  
Recent developments in the ABINIT software package 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2016, 卷号: 205, 页码: 106-131
作者:  Gonze, X.;  Jollet, F.;  Araujo, F. Abreu;  Adams, D.;  Amadon, B.;  Applencourt, T.;  Audouze, C.;  Beuken, J. -M.;  Bieder, J.;  Bokhanchuk, A.;  Bousquet, E.;  Bruneval, F.;  Caliste, D.;  Cote, M.;  Dahm, F.;  Da Pieve, F.;  Delaveau, M.;  Di Gennaro, M.;  Dorado, B.;  Espejo, C.;  Geneste, G.;  Genovese, L.;  Gerossier, A.;  Giantomassi, M.;  Gillet, Y.;  Hamann, D. R.;  He, L.;  Jomard, G.;  Janssen, J. Laflamme;  Le Roux, S.;  Levitt, A.;  Lherbier, A.;  Liu, F.;  Lukacevic, I.;  Martin, A.;  Martins, C.;  Oliveira, M. J. T.;  Ponce, S.;  Pouillon, Y.;  Rangel, T.;  Rignanese, G. -M.;  Romero, A. H.;  Rousseau, B.;  Rubel, O.;  Shukri, A. A.;  Stankovski, M.;  Torrent, M.;  Van Setten, M. J.;  Van Troeye, B.;  Verstraete, M. J.;  Waroquiers, D.;  Wiktor, J.;  Xu, B.;  Zhou, A.;  Zwanziger, J. W.
收藏  |  浏览/下载：154/0  |  提交时间：2018/07/30
First-principles calculation  Electronic structure  Density Functional Theory  Many-Body Perturbation Theory  
Variational discretizations for the generalized Rosenau-type equations 期刊论文
APPLIED MATHEMATICS AND COMPUTATION, 2015, 卷号: 271, 页码: 860-873
作者:  Cai, Wenjun;  Sun, Yajuan;  Wang, Yushun
收藏  |  浏览/下载：119/0  |  提交时间：2018/07/30
Lagrangian density  Variational integrator  Multisymplectic formulation  Solitons collision  Local conservation law