The vision of predicting and designing materials properties purely on the base of computer simulations poses a great challenge that requires a synergetic effort from different disciplines in view of the growing requirements of new products and technologies. Currently, major efforts are directed towards accurately and yet efficiently simulating new materials for biotechnology, nanosensorics, organic electronics and polymer based applications. Combined methodologies comprising first-principle, molecular dynamics, Monte Carlo simulations of atomistic or coarse-grained material models, and finite element or other continuum-scale methods are conventionally used to describe organic/bio/polymeric systems. Atomistic simulations, however, are still restricted to the nanometer scale due to the computational expense, while the materials properties of interest mostly manifest themselves on the macroscale. Therefore, developing new methods for scale-bridging simulations of materials is a central task for the upcoming exascale computing era. This symposium aims at bringing together prominent representatives from different computational material design communities to shape an overall picture of the complex problem of large-scale computer simulations. Invited speakers will represent various relevant disciplines, ranging from biological, polymer, and solid state physics to quantum chemistry and mechanical engineering. We expect this symposium to attract a diverse and large group of physicists working in different fields of condensed matter physics, and to define the most promising routes of how to computationally address the challenge of rationally understanding and designing emerging materials.