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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：103/0  |  提交时间：2023/02/07
Key words  density functional theory  all-electron calculations  total energy minimization  orthogonalization-free  scalability  
First-principles investigation of monatomic gold wires under tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 171, 页码: 7
作者:  He, Lianhua;  Liu, Fang;  Li, Ju;  Rignanese, Gian-Marco;  Zhou, Aihui
收藏  |  浏览/下载：122/0  |  提交时间：2020/05/24
First-principles calculations  Gold nanowires  Phonons  Kohn anomalies  Peierls instability  
Physical-Layer Multicasting Design for Downstream G.fast DSL Transmission 期刊论文
IEEE ACCESS, 2019, 卷号: 7, 页码: 110660-110673
作者:  Lanneer, Wouter;  Liu, Ya-Feng;  Yu, Wei;  Moonen, Marc
收藏  |  浏览/下载：178/0  |  提交时间：2020/01/10
G.fast  dynamic spectrum management  physical-layer multicasting  rank-one precoding  
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  
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：150/0  |  提交时间：2018/07/30
First-principles calculation  Electronic structure  Density Functional Theory  Many-Body Perturbation Theory