Abstract. We review some recent developments in the coupling of atomistic and continuum models based on the blending of the two models in a bridge region connecting the other two r...
Santiago Badia, Pavel B. Bochev, Max Gunzburger, R...
This paper studies mathematical models of biopolymer supramolecular aggregates that are formed by the self-assembly of single monomers. We develop a new multiscale numerical appro...
Lei Zhang, Leonid Berlyand, Maxim V. Fedorov, Houm...
Abstract An epitaxial thin film consists of layers of atoms whose lattice properties are determined by those of the underlying substrate. This paper reviews mathematical modeling, ...
Background: The structure of proteins may change as a result of the inherent flexibility of some protein regions. We develop and explore probabilistic machine learning methods for...
The relation between atomistic structure, architecture, molecular weight and material properties is a basic concern of modern soft material science. This by now goes far beyond st...
Matej Praprotnik, Christoph Junghans, Luigi Delle ...