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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 38: SYMM: Computational Challenges in Scale-Bridging Modeling of Materials

CPP 38.5: Hauptvortrag

Donnerstag, 14. März 2013, 11:30–12:00, H1

Materials by design — •Markus Buehler — MIT, 77 Mass. Ave, Cambridge, MA 02139

Biological materials are synthesized, controlled and used for an astonishing variety of purposes including structural support, force generation, mass transport, catalysis, or energy conversion. By incorporating concepts from biology and engineering, computational modeling has led the way in identifying the core principles that link the molecular structure of biomaterials at scales of nanometers to physiological scales at the level of tissues. The use of the world's fastest supercomputers allows us to predict properties of complex materials from first principles, realized in a multiscale modeling approach that spans massive ranges in scale. Combined with experimental studies, such in silico models allow us to simulate disease, understand catastrophic failure of tissues, and enable us to translate concepts from the living world into material designs that blur the distinction between the living and non-living systems. We discuss challenges and opportunities in new methods of scale bridging.