COLL 11-Accelerated molecular dynamics of thermal desorption

被引:0
|
作者
Fichthorn, Kristen A. [1 ]
McLaughlin, Kelly E. [1 ]
机构
[1] Penn State Univ, Dept Chem Engn, Fenske Lab 164, University Pk, PA 16802 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
11-COLL
引用
收藏
页数:1
相关论文
共 50 条
  • [21] Hydrogen retention and affecting factors in rolled tungsten: Thermal desorption spectra and molecular dynamics simulations
    Chen, Hongyu
    Wang, Lin
    Peng, Feng
    Xu, Qiu
    Xiong, Yaoxu
    Zhao, Shijun
    Tokunaga, Kazutoshi
    Wu, Zhenggang
    Ma, Yi
    Chen, Pengqi
    Luo, Laima
    Wu, Yucheng
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2023, 48 (78) : 30522 - 30531
  • [22] MOLECULAR-DYNAMICS STUDY OF THERMAL-DESORPTION OF XE FROM AG(111) SURFACE
    ZHU, SB
    ROBINSON, GW
    LIN, SH
    SURFACE SCIENCE, 1992, 279 (1-2) : 99 - 104
  • [23] Molecular dynamics of Nylon 11
    Lopez Cabarcos, E.
    Brana, A. F.
    Frick, B.
    Batallan, F.
    PHYSICA B-CONDENSED MATTER, 2004, 350 (1-3) : E889 - E891
  • [24] Thermal desorption mechanism of n-dodecane on unsaturated clay: Experimental study and molecular dynamics simulation
    Chen, Zhixin
    Wang, Yijie
    Hu, Liming
    ENVIRONMENTAL POLLUTION, 2023, 323
  • [25] Hyperdynamics: accelerated molecular dynamics of infrequent events
    Los Alamos Natl Lab, Los Alamos, United States
    Phys Rev Lett, 20 (3908-3911):
  • [26] Increasing the power of accelerated molecular dynamics methods
    Voter, Arthur
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [27] Accelerated Molecular Dynamics: Theory, Implementation and Applications
    Wang, Yi
    McCammon, J. Andrew
    THEORY AND APPLICATIONS IN COMPUTATIONAL CHEMISTRY: THE FIRST DECADE OF THE SECOND MILLENNIUM, 2012, 1456 : 165 - 172
  • [28] Accelerated molecular dynamics simulations of protein folding
    Miao, Yinglong
    Feixas, Ferran
    Eun, Changsun
    McCammon, J. Andrew
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 36 (20) : 1536 - 1549
  • [29] Hyperdynamics: Accelerated molecular dynamics of infrequent events
    Voter, AF
    PHYSICAL REVIEW LETTERS, 1997, 78 (20) : 3908 - 3911
  • [30] Graph neural networks accelerated molecular dynamics
    Li, Zijie
    Meidani, Kazem
    Yadav, Prakarsh
    Farimani, Amir Barati
    JOURNAL OF CHEMICAL PHYSICS, 2022, 156 (14):