Sponsored by the Temple Materials Institute (TMI), the symposium explores design of novel materials for industrial and personal applications, which is advancing dramatically thanks to the increasingly predictive power of theoretical models and simulations. Supra-molecular organization of polymers and microscopic coexistence of solid phases can drive up the performance of a novel material often more strongly than its chemical structure. Molecular dynamics simulations can classify competing microscopic models, and guide the design of materials and processes by using well-founded physical principles.Sponsored by the Temple Materials Institute (TMI), the symposium explores design of novel materials for industrial and personal applications, which is advancing dramatically thanks to the increasingly predictive power of theoretical models and simulations. Supra-molecular organization of polymers and microscopic coexistence of solid phases can drive up the performance of a novel material often more strongly than its chemical structure. Molecular dynamics simulations can classify competing microscopic models, and guide the design of materials and processes by using well-founded physical principles.