Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …

In the last few decades, computer simulations have become a fundamental tool in the field of
soft matter science, allowing researchers to investigate the properties of a large variety of …

Adaptive resolution schemes allow the simulation of a molecular fluid treating
simultaneously different subregions of the system at different levels of resolution. In this work …

For simulation studies of (macro) molecular liquids it would be of significant interest to be
able to adjust or increase the level of resolution within one region of space, while allowing …

The redesigned Extensible Simulation Package for Research on Soft matter systems
(ESPResSo++) is a free, open-source, parallelized, object-oriented simulation package …

Typical experimental setups for molecular systems must deal with a certain coupling to the
external environment, that is, the system is open and exchanges mass, momentum, and …

We provide an overview of the Adaptive Resolution Simulation method (AdResS) based on
discussing its basic principles and presenting its current numerical and theoretical …

Complex soft matter systems can be efficiently studied with the help of adaptive resolution
simulation methods, concurrently employing two levels of resolution in different regions of …

Finite-size effects arise when a sample of particles is not sufficient to provide a statistically
satisfactory description of the bulk environment of a physical system. As a consequence, a …

Molecular simulation is a scientific tool used in many fields including material science and
biology. This requires constant development and enhancement of algorithms within …