In soft matter physics there is a variety of systems where phenomena occur on different time- and length scales which are inherently coupled. Examples of such systems are colloidal suspensions, polymer solutions or biological macromolecules. To simulate such systems, it is necessary to consistently take into account atomistic and hydrodynamic interactions within one computational scheme, which is feasible from the requirements of memory consumption and CPU time usage. The hybrid simulation approach presented in this work solves this problem by coupling of Molecular Dynamics and Multi-Particle Collision dynamics simulations. It allows to change the representation of the molecules composing the fluid "on the fly", taking into account the atom...
The particle-based mesoscale simulation technique called Multi-Particle-Collision Dynamics (MPCD) (a...
A multiscale framework for simulation of fluid flow is developed by using a hybrid atomistic-continu...
We develop a method for multiscale hybrid simulations of molecular dynamics (MD) and computational f...
A new adaptive resolution technique for particle-based multi-level simulations of fluids is presente...
Abstract. Several aspects of modeling dynamics at the mesoscale level are discussed: (1) The constru...
We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour,...
A triple-scale model of a molecular liquid, where atomistic, coarse-grained, and hydrodynamic descri...
Understanding mesoscopic phenomena in terms of the fundamental motions of atoms and electrons poses ...
A new 3D implementation of a hybrid model based on the analogy with two-phase hydrodynamics has been...
One of the most important developments in the last centuries is the process of miniaturisation and u...
A previously developed hybrid particle-continuum method [J. B. Bell, A. Garcia, and S. A. Williams, ...
Mesoscale simulations of hydrodynamic media have attracted great interest during the last years in o...
The hybrid Molecular Dynamics - Fluctuating Hydrodynamics model is extended for multi-resolution sim...
We have extended an existing hybrid MD-SCF simulation technique that employs a coarsening step to en...
Computational methods for the calculation of dynamical properties of fluids might consider the syste...
The particle-based mesoscale simulation technique called Multi-Particle-Collision Dynamics (MPCD) (a...
A multiscale framework for simulation of fluid flow is developed by using a hybrid atomistic-continu...
We develop a method for multiscale hybrid simulations of molecular dynamics (MD) and computational f...
A new adaptive resolution technique for particle-based multi-level simulations of fluids is presente...
Abstract. Several aspects of modeling dynamics at the mesoscale level are discussed: (1) The constru...
We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour,...
A triple-scale model of a molecular liquid, where atomistic, coarse-grained, and hydrodynamic descri...
Understanding mesoscopic phenomena in terms of the fundamental motions of atoms and electrons poses ...
A new 3D implementation of a hybrid model based on the analogy with two-phase hydrodynamics has been...
One of the most important developments in the last centuries is the process of miniaturisation and u...
A previously developed hybrid particle-continuum method [J. B. Bell, A. Garcia, and S. A. Williams, ...
Mesoscale simulations of hydrodynamic media have attracted great interest during the last years in o...
The hybrid Molecular Dynamics - Fluctuating Hydrodynamics model is extended for multi-resolution sim...
We have extended an existing hybrid MD-SCF simulation technique that employs a coarsening step to en...
Computational methods for the calculation of dynamical properties of fluids might consider the syste...
The particle-based mesoscale simulation technique called Multi-Particle-Collision Dynamics (MPCD) (a...
A multiscale framework for simulation of fluid flow is developed by using a hybrid atomistic-continu...
We develop a method for multiscale hybrid simulations of molecular dynamics (MD) and computational f...