Electronic structure calculations on graphical processing units

被引:0
作者
Gordon, Mark S. [1 ]
Windus, Theresa L. [1 ]
Bode, Brett M. [1 ]
Felder, Jacob [1 ]
Asadchev, Andrey [1 ]
Allada, Veerendra [1 ]
机构
[1] Iowa State Univ, Chem & Ames Lab, Ames, IA USA
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2010年 / 240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
87-PHYS
引用
收藏
页数:1
相关论文
共 50 条
  • [21] Optimization of a FDTD Code for Graphical Processing Units
    Sypek, Piotr
    Mrozowski, Michal
    2008 MIKON CONFERENCE PROCEEDINGS, VOLS 1 AND 2, 2008, : 812 - 814
  • [22] Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units
    Kovtun, Mikael
    Lambros, Eleftherios
    Liu, Aodong
    Tang, Diandong
    Williams-Young, David B.
    Li, Xiaosong
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (18) : 7694 - 7699
  • [23] Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units
    Woo, Jeheon
    Kim, Seonghwan
    Kim, Woo Youn
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 19 (05) : 1457 - 1465
  • [24] Parallel task processing in ab initio electronic structure calculations
    Noda, EG
    COMPUTATIONAL MATERIALS SCIENCE, 1998, 11 (02) : 128 - 131
  • [25] Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library
    Olivares-Amaya, Roberto
    Watson, Mark A.
    Edgar, Richard G.
    Vogt, Leslie
    Shao, Yihan
    Aspuru-Guzik, Alan
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2010, 6 (01) : 135 - 144
  • [26] Speedup of FEM Micromagnetic Simulations With Graphical Processing Units
    Kakay, Attila
    Westphal, Elmar
    Hertel, Riccardo
    IEEE TRANSACTIONS ON MAGNETICS, 2010, 46 (06) : 2303 - 2306
  • [27] Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units
    Cawkwell, M. J.
    Sanville, E. J.
    Mniszewski, S. M.
    Niklasson, Anders M. N.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (11) : 4094 - 4101
  • [28] Calculations of a SPECT Projection Operator on a Graphical Processing Unit
    Massanes, Francesc
    Brankov, Jovan G.
    MEDICAL IMAGING 2012: PHYSICS OF MEDICAL IMAGING, 2012, 8313
  • [29] Accelerating Quantum Chemistry Calculations with Graphical Processing Units - Toward in High-Density (HD) Silico Drug Discovery
    Hagiwara, Yohsuke
    Ohno, Kazuki
    Orita, Masaya
    Koga, Ryota
    Endo, Toshio
    Akiyama, Yutaka
    Sekijima, Masakazu
    CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 9 (03) : 396 - 401
  • [30] Accelerating direct quantum dynamics using graphical processing units
    Penfold, T. J.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (30) : 19601 - 19608