Mathematics and Molecular Modeling

Mathematics and Molecular Modeling offers an interdisciplinary forum for monographs and multi-author surveys related to the design, analysis, and simulation of molecular models at all scales. Topics covered range from electronic structure over molecular dynamics to deterministic and stochastic coarse-grained models as relevant for, e.g., conformation dynamics of biomolecules or evolution of defects in solids. Computational and mathematical aspects of electronic and atomic structure of materials, molecular optics, molecular scale imaging, control of molecular systems, crystal growth, supramolecular architectures and data-based modeling are also covered. Texts highlight the state of the art in a particular area, in a way accessible to graduate students and researchers in applied and computational mathematics as well as to interested researchers from other fields.