Bridging length scales from the atomistic to the mesoscale with thermodynamically consistent coarse-grained models

被引:0
|
作者
Guenza, Marina [1 ]
机构
[1] Univ Oregon, Chem & Biochem, Eugene, OR 97403 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
410
引用
收藏
页数:1
相关论文
共 50 条
  • [41] A COARSE-GRAINED MODEL OF MONOOLEIN: COMPARISON WITH THE ATOMISTIC MODEL
    Kim, J. H.
    Choi, S. H.
    Jung, D. H.
    Cho, C. S.
    Choi, Y. J.
    INTERNATIONAL JOURNAL OF NANOSCIENCE, 2009, 8 (1-2) : 169 - 173
  • [42] Direct Mixing of Atomistic Solutes and Coarse-Grained Water
    Orsi, Mario
    Ding, Wei
    Palaiokostas, Michail
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (10) : 4684 - 4693
  • [43] Atomistic and coarse-grained simulations of polymer liquids and their mixtures
    Nellist, Michael R.
    McCarty, James
    Guenza, Marina
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
  • [44] Atomistic and coarse-grained modeling of histone cores and tails
    Papoian, Garegin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [45] Membrane pore formation in atomistic and coarse-grained simulations
    Kirsch, Sonja A.
    Boeckmann, Rainer A.
    BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, 2016, 1858 (10): : 2266 - 2277
  • [46] Simulation of polymer melts. II. From coarse-grained models back to atomistic description
    Tschop, W
    Kremer, K
    Hahn, O
    Batoulis, J
    Burger, T
    ACTA POLYMERICA, 1998, 49 (2-3) : 75 - 79
  • [47] Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations
    Padding, JT
    Briels, WJ
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (02): : 925 - 943
  • [48] A Bayesian framework for adaptive selection, calibration, and validation of coarse-grained models of atomistic systems
    Farrell, Kathryn
    Oden, J. Tinsley
    Faghihi, Danial
    JOURNAL OF COMPUTATIONAL PHYSICS, 2015, 295 : 189 - 208
  • [49] Modeling solid-solid interfaces in batteries at atomic and coarse-grained length scales
    Leung, Kevin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [50] Lipophilicity of Coarse-Grained Cholesterol Models
    Fornasier, Franccesca
    Souza, Lucas M. P.
    Souza, Felipe R.
    Reynaud, Franceline
    Pimentel, Andre S.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 60 (02) : 569 - 577