The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

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

Polymer materials are multiscale systems by definition. Already the description of a single
macromolecule involves a multitude of scales, and cooperative processes in polymer …

▪ Abstract Polymers offer a wide spectrum of possibilities for materials applications, in part
because of the chemical complexity and variability of the constituent molecules, and in part …

The concept of multiscale modeling embodies the idea that a comprehensive description of
a material will require an understanding over multiple time and length scales. A multiscale …

Following the substantial progress in molecular simulations of polymer-matrix
nanocomposites, now is the time to reconsider this topic from a critical point of view. A …

Machine learning (ML) is having an increasing impact on the physical sciences,
engineering, and technology and its integration into molecular simulation frameworks holds …

Polymer simulations can be performed at many different length scales by using techniques
ranging from quantum chemistry to finite element via a hierarchy of coarser and coarser …

A predictive multiscale computational framework has been proposed to study the
viscoelastic properties of polymeric materials. Using the Inverse Boltzmann Method, both the …

Polymer materials range from industrial commodities, such as plastic bags, to high-tech
polymers used for optical applications, and all the way to biological systems, where the most …