Vectorization and high performance quantum chemistry software

被引:0
|
作者
Chow, Edmond [1 ]
Pritchard, Benjamin [2 ]
机构
[1] Georgia Inst Technol, Atlanta, GA 30332 USA
[2] Virginia Tech, Blacksburg, VA USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
132
引用
收藏
页数:1
相关论文
共 50 条
  • [21] Software infrastructure for generating and analyzing large datasets in quantum chemistry
    Sherrill, Charles
    Smith, Daniel
    Smith, Daniel
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
  • [22] Uquantchem: A versatile and easy to use quantum chemistry computational software
    Souvatzis, Petros
    COMPUTER PHYSICS COMMUNICATIONS, 2014, 185 (01) : 415 - 421
  • [23] Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics
    Malyshkina, Marina V.
    Novikov, Alexander S.
    COMPOUNDS, 2021, 1 (03): : 134 - 144
  • [24] Development of massively parallel software for quantum chemistry calculations: SMASH
    Ishimura, Kazuya
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
  • [25] HIGH SYMMETRIES IN QUANTUM-CHEMISTRY
    BROWN, WB
    CHEMICAL PHYSICS LETTERS, 1987, 136 (02) : 128 - 133
  • [26] Challenges in the utilization of extreme-scale high performance computers by quantum chemistry applications
    Janssen, Curtis
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 242
  • [27] Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure
    Peng, Chong
    Lewis, Cannada A.
    Wang, Xiao
    Clement, Marjory C.
    Pierce, Karl
    Rishi, Varun
    Pavosevic, Fabijan
    Slattery, Samuel
    Zhang, Jinmei
    Teke, Nakul
    Kumar, Ashutosh
    Masteran, Conner
    Asadchev, Andrey
    Calvin, Justus A.
    Valeev, Edward F.
    JOURNAL OF CHEMICAL PHYSICS, 2020, 153 (04):
  • [28] Vectorization Technology To Improve Interpreter Performance
    Rohou, Erven
    Williams, Kevin
    Yuste, David
    ACM TRANSACTIONS ON ARCHITECTURE AND CODE OPTIMIZATION, 2013, 9 (04)
  • [29] High Performance Computing in Chemistry
    Marius Lewerenz
    Uwe Harms
    Molecular modeling annual, 1998, 4 : 147 - 149
  • [30] High performance computational chemistry
    Windus, Theresa L.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 237