The development of new modeling and simulation tools is key to design, synthesis, and advanced characterization procedures. These tools can support the interpretation of experimental data, offer understanding of material properties at length and time scales that would be inaccessible by experiments, and guide experimentation towards new or improved materials. To this end, multiscale simulation methods are developed that cover the range from the atomic scale to the macroscopic scale. Special emphasis is placed at the interfaces between different material types or different phases of the same material, as well as on embedding inorganic and low dimensional materials in polymer matrices. Combination of experimental with modeling techniques can provide three-dimensional representations of the material sructure and helps predict end properties from a minimal set of experimental data.
