Bridging between atomistic and coarse-grained models: Application to the mixing of simple polymeric hydrocarbons.

被引：0
|
作者：
Mattice, WL [1 ]
机构：
[1] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2001年 / 221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：
189-POLY
引用
收藏
页码：U322 / U322
页数：1
相关论文
共 50 条
  • [41] Accelerate Sampling in Atomistic Energy Landscapes Using Topology-Based Coarse-Grained Models
    Zhang, Weihong
    Chen, Jianhan
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (03) : 918 - 923
  • [42] PHYS 48-Rebuilding atomistic detail from coarse-grained models in resolution exchange
    Liu, Pu
    Shi, Qiang
    Voth, Gregory A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234
  • [43] A second generation of mapping/reverse mapping of coarse-grained and fully atomistic models of polymer melts
    Doruker, P
    Mattice, WL
    MACROMOLECULAR THEORY AND SIMULATIONS, 1999, 8 (05) : 463 - 478
  • [44] Coarse-grained methods for polymeric materials: enthalpy- and entropy-driven models
    Carbone, Paola
    Avendano, Carlos
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2014, 4 (01) : 62 - 70
  • [45] Constrution of Coarse-Grained Models of Meso-Scale Structures for Dynamics in Polymeric Systems
    Uneyama, Takashi
    NIHON REOROJI GAKKAISHI, 2017, 45 (05) : 217 - 223
  • [46] Transferability of Polymer Chain Properties between Coarse-Grained and Atomistic Models of Natural Rubber Molecule Validated by Molecular Dynamics Simulations
    Kitjanon, Jiramate
    Khuntawee, Wasinee
    Sutthibutpong, Thana
    Boonnoy, Phansiri
    Phongphanphanee, Saree
    Wong-ekkabut, Jirasak
    SIAM PHYSICS CONGRESS 2017 (SPC2017), 2017, 901
  • [47] Mapping atomistic to coarse-grained polymer models using automatic simplex optimization to fit structural properties
    Reith, D
    Meyer, H
    Müller-Plathe, F
    MACROMOLECULES, 2001, 34 (07) : 2335 - 2345
  • [48] 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
  • [49] Free Energy Analysis of Peptide-Induced Pore Formation in Lipid Membranes by Bridging Atomistic and Coarse-Grained Simulations
    Richardson, Joshua D.
    Van Lehn, Reid C.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2024, 128 (36): : 8737 - 8752
  • [50] Calibration and validation of coarse-grained models of atomic systems: application to semiconductor manufacturing
    Kathryn Farrell
    J. Tinsley Oden
    Computational Mechanics, 2014, 54 : 3 - 19
12345