Multiscale modeling of advanced and multifunctional materials is a multidisciplinary field that combines principles from materials science, physics, chemistry, and engineering to study the behavior of materials at various levels of scale, from the atomic and molecular to the macroscopic. This approach allows researchers to gain deep insights into the complex interactions and phenomena that occur within these materials and to tailor their properties to meet specific performance requirements. Key aspects of multiscale modeling in this context include atomic and molecular scale quantum mechanical calculations, microscale analysis of material structures, mesoscale domain modeling, and macroscale predictions of bulk properties. The insights gained from multiscale modeling are invaluable for designing advanced materials with tailored properties, such as materials with enhanced strength-to-weight ratios, improved thermal conductivity, or unique electronic properties, with applications spanning aerospace, automotive, electronics, energy, and healthcare industries.

Relevant Publications