Topography and dynamics of multi-dimensional potential energy surfaces: from clusters to polypeptides.

被引:0
|
作者
Kostov, KS [1 ]
Berry, RS [1 ]
Peng, TL [1 ]
机构
[1] Univ Chicago, Dept Chem, Chicago, IL 60637 USA
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
引用
收藏
页码:A175 / A175
页数:1
相关论文
共 50 条
  • [1] Efficient Calculation of Multi-dimensional Potential Energy Surfaces of Molecules and Molecular Clusters
    Neff, Michael
    Oschetzki, Dominik
    Yudin, Yuriy
    Dorozhko, Yevgen
    Currle-Linde, Natalia
    Resch, Michael
    Rauhut, Guntram
    HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING'13: TRANSACTIONS OF THE HIGH PERFORMANCE COMPUTING CENTER, STUTTGART (HLRS) 2013, 2013, : 219 - 230
  • [2] From topographies to dynamics on multidimensional potential energy surfaces of atomic clusters
    Ball, KD
    Berry, RS
    Kunz, RE
    Li, FY
    Proykova, A
    Wales, DJ
    SCIENCE, 1996, 271 (5251) : 963 - 966
  • [3] Effect of potential energy topography on dynamics and phase behaviour of clusters
    Mainz, D. T.
    Berry, R. S.
    Molecular Physics, 88 (03):
  • [4] Effect of potential energy topography on dynamics and phase behaviour of clusters
    Mainz, DT
    Berry, RS
    MOLECULAR PHYSICS, 1996, 88 (03) : 709 - 726
  • [5] Potential energy surfaces of actinide and transfermium nuclei from multi-dimensional constraint covariant density functional theories
    Lu, Bing-Nan
    Zhao, Jie
    Zhao, En-Guang
    Zhou, Shan-Gui
    NSRT12 - INTERNATIONAL CONFERENCE ON NUCLEAR STRUCTURE AND RELATED TOPICS, 2012, 38
  • [6] Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure
    Opalka, Daniel
    Domcke, Wolfgang
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (22):
  • [7] How should we calculate multi-dimensional potential energy surfaces for an accurate reproduction of partition functions?
    Vansteenkiste, P
    Van Speybroeck, V
    Pauwels, E
    Waroquier, M
    CHEMICAL PHYSICS, 2005, 314 (1-3) : 109 - 117
  • [8] Multi-dimensional symbolic dynamics
    Lind, D
    SYMBOLIC DYNAMICS AND ITS APPLICATIONS, 2004, 60 : 61 - 79
  • [9] On the dynamics of multi-dimensional detonation
    Yao, J
    Stewart, DS
    JOURNAL OF FLUID MECHANICS, 1996, 309 : 225 - 275
  • [10] On the dynamics of multi-dimensional detonation
    Yao, Jin
    Stewart, D.Scott
    Journal of Fluid Mechanics, 1996, 309 : 225 - 275