Literature DB >> 17677024

Equation of motion for coarse-grained simulation based on microscopic description.

Tomoyuki Kinjo1, Shi-aki Hyodo.   

Abstract

We have derived an equation of motion for coarse-grained particles by using a projection operator. Because the derived coarse-grained equation is based on microscopic description, it can be the basis for models of various coarse-grained simulations. We show that by substitution of random forces into fluctuating forces in the coarse-grained equation, the equations for Brownian dynamics and dissipative particle dynamics are reproduced.

Year:  2007        PMID: 17677024     DOI: 10.1103/PhysRevE.75.051109

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  8 in total

1.  Time-dependent and outflow boundary conditions for Dissipative Particle Dynamics.

Authors:  Huan Lei; Dmitry A Fedosov; George Em Karniadakis
Journal:  J Comput Phys       Date:  2011-05-31       Impact factor: 3.553

2.  Direct construction of mesoscopic models from microscopic simulations.

Authors:  Huan Lei; Bruce Caswell; George Em Karniadakis
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2010-02-16

3.  The entropy of a complex molecule.

Authors:  Gérôme Faure; Rafael Delgado-Buscalioni; Pep Español
Journal:  J Chem Phys       Date:  2017-06-14       Impact factor: 3.488

4.  Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism.

Authors:  Zhen Li; Xin Bian; Xiantao Li; George Em Karniadakis
Journal:  J Chem Phys       Date:  2015-12-28       Impact factor: 3.488

Review 5.  Bottom-up Coarse-Graining: Principles and Perspectives.

Authors:  Jaehyeok Jin; Alexander J Pak; Aleksander E P Durumeric; Timothy D Loose; Gregory A Voth
Journal:  J Chem Theory Comput       Date:  2022-09-07       Impact factor: 6.578

6.  Multiscale Molecular Simulations of Polymer-Matrix Nanocomposites: or What Molecular Simulations Have Taught us About the Fascinating Nanoworld.

Authors:  Georgios G Vogiatzis; Doros N Theodorou
Journal:  Arch Comput Methods Eng       Date:  2017-02-22       Impact factor: 7.302

7.  Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems.

Authors:  Adam Liwo; Cezary Czaplewski; Adam K Sieradzan; Agnieszka G Lipska; Sergey A Samsonov; Rajesh K Murarka
Journal:  Biomolecules       Date:  2021-09-11

8.  Non-Markovian modeling of protein folding.

Authors:  Cihan Ayaz; Lucas Tepper; Florian N Brünig; Julian Kappler; Jan O Daldrop; Roland R Netz
Journal:  Proc Natl Acad Sci U S A       Date:  2021-08-03       Impact factor: 11.205

  8 in total

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