Session 5: Atomistic Simulation and Predictive Modeling of Glasses

Modeling and simulation play an important role in materials research, particularly for glasses, amorphous and nanostructured materials due to their complex nature. This session will focus on computer simulations and modeling approaches to gain insight into the structures, properties and behavior of glasses and glass-forming liquids. Of particular interest are recent developments and applications of first principles, classical, mesoscale methods and their integration with the aim of expanding the space and time-scales explored by conventional modelling techniques. Also, welcome are numerical studies that help the interpretation of experimental data and structural validation using methods such as X-ray and neutron diffraction, solid-state NMR, and other spectroscopic techniques. Finally, integrated computational material design of glass compositions using physics-based modeling and simulation methods will also be covered.

organizers:

• Sushmit Goyal, Corning Inc, USA GoyalS@corning.com
• Alfonso Pedone, University of Modena and Reggio Emilia, Italy, pedone@unimore.it