Scalable in situ analysis for large-scale molecular dynamics simulations on supercomputers

被引：0
|
作者：
Malakar, Preeti [1 ]
Vishwanath, Venkatram [1 ]
Knight, Christopher [1 ]
Munson, Todd [1 ]
Papka, Michael [1 ,2 ]
机构：
[1] Argonne Natl Lab, Lemont, IL USA
[2] Northern Illinois Univ, De Kalb, IL USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2017年 / 254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：
119
引用
下载
收藏
页数：2
相关论文
共 50 条
  • [41] DYNAMICS OF RANDOM FRACTALS - LARGE-SCALE SIMULATIONS
    NAKAYAMA, T
    PHYSICA A, 1992, 191 (1-4): : 386 - 393
  • [42] Scalable agent distribution mechanisms for large-scale UAV simulations
    Jang, MW
    Agha, G
    2005 INTERNATIONAL CONFERENCE ON INTEGRATION OF KNOWLEDGE INTENSIVE MULTI-AGENT SYSTEMS: KIMAS'05: MODELING, EXPLORATION, AND ENGINEERING, 2005, : 85 - 90
  • [43] Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers
    Vemparala, S
    Karki, BB
    Kalia, RK
    Nakano, A
    Vashishta, P
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (09): : 4323 - 4330
  • [44] Large-scale molecular dynamics simulations of normal shock waves in dilute argon
    Valentini, Paolo
    Schwartzentruber, Thomas E.
    PHYSICS OF FLUIDS, 2009, 21 (06)
  • [45] Object-oriented database system for large-scale molecular dynamics simulations
    Kitowski, J
    Wajs, D
    Trzeciak, P
    HIGH-PERFORMANCE COMPUTING AND NETWORKING, PROCEEDINGS, 1999, 1593 : 693 - 701
  • [46] RICHTMYER-MESHKOV INSTABILITY EXAMINED WITH LARGE-SCALE MOLECULAR DYNAMICS SIMULATIONS
    Cherne, Frank J.
    Dimonte, Guy
    Germann, Timothy C.
    SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2, 2012, 1426
  • [47] Large-scale molecular dynamics simulations of three-dimensional ductile failure
    Zhou, SJ
    Beazley, DM
    Lomdahl, PS
    Holian, BL
    PHYSICAL REVIEW LETTERS, 1997, 78 (03) : 479 - 482
  • [48] Large-scale molecular dynamics simulations of three-dimensional ductile failure
    Phys Rev Lett, 3 (479):
  • [49] Optimisation of data locality in energy calculations for large-scale molecular dynamics simulations
    Luo, Jinping
    Liu, Lijun
    MOLECULAR SIMULATION, 2017, 43 (04) : 284 - 290
  • [50] Shock response of nanotwinned copper from large-scale molecular dynamics simulations
    Yuan, Fuping
    Wu, Xiaolei
    PHYSICAL REVIEW B, 2012, 86 (13)
12345