We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable walls as particles keeping the configuration details, and chains in the bulk region as continuous density fields. Polymers can switch resolutions on the fly, controlled by an inhomogeneous tuning function. By properly choosing the tuning function, the representation of the system can be adjusted to reach an optimal balance between physical accuracy and computational efficiency. The hybrid simulation reproduces the results of a reference particle simulation and is significantly faster (about a factor of 3.5...
A new hybrid particle-continuum numerical code is currently being developed as an engineering tool f...
To achieve simulations on large spatial and temporal scales with high molecular chemical specificity...
We present a lattice computer simulation study on the geometrical confinement effect of polymer solu...
We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows...
We propose a theoretical scheme for a hybrid simulation technique where self-consistent field theory...
We present an algorithm for the creation and relaxation of large, dense or diluted homogeneous many ...
We present an updated version of a program that had been published earlier in this journal. The prog...
The research groups of the John von Neumann Institute for Computing (NIC) regularly conduct workshop...
In soft matter physics there is a variety of systems where phenomena occur on different time- and le...
We show how an existing concurrent multi-scale method named hybrid particle field-molecular dynamics...
A previously developed hybrid particle-continuum method [J. B. Bell, A. Garcia, and S. A. Williams, ...
The study of polymer-based composites is a challenging multiscale problem, involving multiple time a...
We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour,...
Over the past half century, molecular dynamics simulation techniques have advanced considerably, aim...
Polymer simulations can be performed at many different length scales by using techniques ranging fro...
A new hybrid particle-continuum numerical code is currently being developed as an engineering tool f...
To achieve simulations on large spatial and temporal scales with high molecular chemical specificity...
We present a lattice computer simulation study on the geometrical confinement effect of polymer solu...
We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows...
We propose a theoretical scheme for a hybrid simulation technique where self-consistent field theory...
We present an algorithm for the creation and relaxation of large, dense or diluted homogeneous many ...
We present an updated version of a program that had been published earlier in this journal. The prog...
The research groups of the John von Neumann Institute for Computing (NIC) regularly conduct workshop...
In soft matter physics there is a variety of systems where phenomena occur on different time- and le...
We show how an existing concurrent multi-scale method named hybrid particle field-molecular dynamics...
A previously developed hybrid particle-continuum method [J. B. Bell, A. Garcia, and S. A. Williams, ...
The study of polymer-based composites is a challenging multiscale problem, involving multiple time a...
We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour,...
Over the past half century, molecular dynamics simulation techniques have advanced considerably, aim...
Polymer simulations can be performed at many different length scales by using techniques ranging fro...
A new hybrid particle-continuum numerical code is currently being developed as an engineering tool f...
To achieve simulations on large spatial and temporal scales with high molecular chemical specificity...
We present a lattice computer simulation study on the geometrical confinement effect of polymer solu...