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, and mesoscale methods and their integration with the aim of expanding the space- and timescales explored by conventional modeling techniques. Also, 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 are especially welcomed. Finally, integrated computational material design of glass compositions using physics-based modeling and simulation methods will also be covered.
organizers:
- Adama Tandia, Corning Inc., USA tandiaa@corning.com
- Alfonso Pedone, University of Modena and Reggio Emilia, Italy, pedone@unimore.it
- Hiroyuki Inoue, University of Tokyo, Japan, inoue@iis.u-tokyo.ac.jp
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