Attacking the strong scaling limit in linear scaling hybrid density functional theory

被引：0
|
作者：
Jia, Junteng [1 ]
Vazquez-Mayagoitia, Alvaro [2 ]
Distasio, Robert
机构：
[1] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY USA
[2] Argonne Natl Lab, Lemont, IL USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
173
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Linear scaling density functional theory
    Scuseria, GE
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 318 - COMP
  • [2] Linear Scaling Constrained Density Functional Theory in CONQUEST
    Sena, Alex M. P.
    Miyazaki, Tsuyoshi
    Bowler, David R.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (04) : 884 - 889
  • [3] Linear scaling gradients of density functional theory.
    Salazar, MR
    Challacombe, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 221 : U407 - U407
  • [4] Daubechies wavelets for linear scaling density functional theory
    Mohr, Stephan
    Ratcliff, Laura E.
    Boulanger, Paul
    Genovese, Luigi
    Caliste, Damien
    Deutsch, Thierry
    Goedecker, Stefan
    JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (20):
  • [5] Linear scaling exchange gradients for Hartree-Fock and hybrid density functional theory
    Ochsenfeld, C
    CHEMICAL PHYSICS LETTERS, 2000, 327 (3-4) : 216 - 223
  • [6] The ONETEP linear-scaling density functional theory program
    Prentice, Joseph C. A.
    Aarons, Jolyon
    Womack, James C.
    Allen, Alice E. A.
    Andrinopoulos, Lampros
    Anton, Lucian
    Bell, Robert A.
    Bhandari, Arihant
    Bramley, Gabriel A.
    Charlton, Robert J.
    Clements, Rebecca J.
    Cole, Daniel J.
    Constantinescu, Gabriel
    Corsetti, Fabiano
    Dubois, Simon M-M
    Duff, Kevin K. B.
    Escartn, Jose Mara
    Greco, Andrea
    Hill, Quintin
    Lee, Louis P.
    Linscott, Edward
    O'Regan, David D.
    Phipps, Maximillian J. S.
    Ratcliff, Laura E.
    Serrano, Alvaro Ruiz
    Tait, Edward W.
    Teobaldi, Gilberto
    Vitale, Valerio
    Yeung, Nelson
    Zuehlsdorff, Tim J.
    Dziedzic, Jacek
    Haynes, Peter D.
    Hine, Nicholas D. M.
    Mostofi, Arash A.
    Payne, Mike C.
    Skylaris, Chris-Kriton
    JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (17):
  • [7] Linear-scaling density functional theory with the ONETEP program
    Skylaris, Chris-Kriton
    Haynes, Peter D.
    Mostofi, Arash A.
    Hine, Nicholas D. M.
    Payne, Mike C.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [8] On spectral quadrature for linear-scaling Density Functional Theory
    Suryanarayana, Phanish
    CHEMICAL PHYSICS LETTERS, 2013, 584 : 182 - 187
  • [9] Efficient Linear-Scaling Density Functional Theory for Molecular Systems
    Khaliullin, Rustam Z.
    VandeVondele, Joost
    Hutter, Juerg
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (10) : 4421 - 4427
  • [10] Linear-Scaling Density Functional Theory Simulations of Polar Semiconductor Nanorods
    Hine, Nicholas D. M.
    Avraam, Philip W.
    Tangney, Paul
    Haynes, Peter D.
    3RD WORKSHOP ON THEORY, MODELLING AND COMPUTATIONAL METHODS FOR SEMICONDUCTORS (TMCSIII), 2012, 367
12345