Coarse‐graining in polymer simulation: from the atomistic to the mesoscopic scale and back

F Müller‐Plathe - ChemPhysChem, 2002 - Wiley Online Library
Polymers can be theoretically and computationally described by models pertaining to
different length scales and corresponding time scales. These models have traditionally been …

Multi-particle collision dynamics: A particle-based mesoscale simulation approach to the hydrodynamics of complex fluids

G Gompper, T Ihle, DM Kroll, RG Winkler - Advanced computer simulation …, 2009 - Springer
In this review, we describe and analyze a mesoscale simulation method for fluid flow, which
was introduced by Malevanets and Kapral in 1999, and is now called multi-particle collision …

[图书][B] Coarse-graining of condensed phase and biomolecular systems

GA Voth - 2008 - taylorfrancis.com
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …

111 years of Brownian motion

X Bian, C Kim, GE Karniadakis - Soft Matter, 2016 - pubs.rsc.org
We consider the Brownian motion of a particle and present a tutorial review over the last 111
years since Einstein's paper in 1905. We describe Einstein's model, Langevin's model and …

A critical review on nanowire‐motors: design, mechanism and applications

D Wang, A Mukhtar, M Humayun, K Wu… - The Chemical …, 2022 - Wiley Online Library
Abstract Nanowire‐motors (NW− Ms) are promoting the rapid development of emerging
biomedicine and environmental governance, and are an important branch of micro‐nano …

Multiparticle collision dynamics: Simulation of complex systems on mesoscales

R Kapral - Advances in Chemical Physics, 2008 - Wiley Online Library
V. Hydrodynamic Equations A. Simulation of Hydrodynamic Flows VI. Reactive MPC
Dynamics VII. Hybrid MPC–MD Dynamics VIII. Simulating Real Systems with MPC Dynamics …

Stochastic rotation dynamics: A Galilean-invariant mesoscopic model for fluid flow

T Ihle, DM Kroll - Physical Review E, 2001 - APS
A recently introduced stochastic model for fluid dynamics with continuous velocities and
efficient multiparticle collisions is investigated, and it is shown how full Galilean-invariance …

Multiscale simulation of soft matter: From scale bridging to adaptive resolution

M Praprotnik, LD Site, K Kremer - Annu. Rev. Phys. Chem., 2008 - annualreviews.org
The relation between atomistic chemical structure, molecular architecture, molecular weight,
and material properties is of basic concern in modern soft material science and includes …

Coarse grain models and the computer simulation of soft materials

SO Nielsen, CF Lopez, G Srinivas… - Journal of Physics …, 2004 - iopscience.iop.org
This article presents a topical review of coarse grain simulation techniques. First, we
motivate these techniques with illustrative examples from biology and materials science …

Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly

M Praprotnik, L Delle Site, K Kremer - The Journal of chemical physics, 2005 - pubs.aip.org
We present a new adaptive resolution technique for efficient particle-based multiscale
molecular-dynamics simulations. The presented approach is tailor-made for molecular …