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 …
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
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 …
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 …
Biomolecular Systems examines systematic ways of constructing coarse-grained …
111 years of Brownian motion
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 …
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
Abstract Nanowire‐motors (NW− Ms) are promoting the rapid development of emerging
biomedicine and environmental governance, and are an important branch of micro‐nano …
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 …
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 …
efficient multiparticle collisions is investigated, and it is shown how full Galilean-invariance …
Multiscale simulation of soft matter: From scale bridging to adaptive resolution
The relation between atomistic chemical structure, molecular architecture, molecular weight,
and material properties is of basic concern in modern soft material science and includes …
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 …
motivate these techniques with illustrative examples from biology and materials science …
Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly
We present a new adaptive resolution technique for efficient particle-based multiscale
molecular-dynamics simulations. The presented approach is tailor-made for molecular …
molecular-dynamics simulations. The presented approach is tailor-made for molecular …