First principles molecular dynamics of water near hydrophobic surfaces

被引:0
|
作者
Kudin, Konstantin N.
Car, Roberto
机构
[1] Princeton Univ, PRISM, Princeton, NJ 08544 USA
[2] Princeton Univ, Dept Chem, Princeton, NJ 08544 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
94-PHYS
引用
收藏
页数:2
相关论文
共 50 条
  • [1] Dependence of Water Dynamics on Molecular Adsorbates near Hydrophobic Surfaces: First-Principles Molecular Dynamics Study
    Lee, Donghwa
    Schwegler, Eric
    Kanai, Yosuke
    JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118 (16): : 8508 - 8513
  • [2] Water on surfaces from first-principles molecular dynamics
    游佩桅
    徐纪玉
    张萃
    孟胜
    ChinesePhysicsB, 2020, 29 (11) : 51 - 57
  • [3] Water on surfaces from first-principles molecular dynamics*
    You, Peiwei
    Xu, Jiyu
    Zhang, Cui
    Meng, Sheng
    CHINESE PHYSICS B, 2020, 29 (11)
  • [4] Molecular dynamics simulation of water near nanostructured hydrophobic surfaces:: Interfacial energies
    Pal, S
    Roccatano, D
    Weiss, H
    Keller, H
    Müller-Plathe, F
    CHEMPHYSCHEM, 2005, 6 (08) : 1641 - 1649
  • [5] The interfacial behavior of liquid water near hydrophobic surfaces: a parallel force decomposition molecular dynamics code
    Alsing, PM
    Coutsias, E
    McIver, J
    APPLICATIONS OF HIGH-PERFORMANCE COMPUTING IN ENGINEERING VI, 2000, 6 : 81 - 90
  • [6] First principles molecular dynamics simulations of benzene in water
    Lightstone, Felice C.
    Schwegler, Eric R.
    Allesch, Markus
    Galli, Giulia
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [7] The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces
    Jensen, MO
    Mouritsen, OG
    Peters, GH
    JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (20): : 9729 - 9744
  • [8] Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation
    Lei Zhao
    Jiangtao Cheng
    Scientific Reports, 7
  • [9] Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation
    Zhao, Lei
    Cheng, Jiangtao
    SCIENTIFIC REPORTS, 2017, 7
  • [10] A MOLECULAR-DYNAMICS STUDY OF WATER NEAR SILICATE SURFACES
    MULLA, DJ
    LOW, PF
    CUSHMAN, JH
    DIESTLER, DJ
    JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1984, 100 (02) : 576 - 580