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Session 4: Computational and Theoretical Studies of Glasses



This session will focus on using various computer simulation and modeling methods, as well as theoretical approaches, to gain insight into the structures and properties of glasses and glass-forming liquids. Of particular interest are studies regarding mechanical, thermodynamic, electrical properties and chemical durability, as well as transport properties in these systems. 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.


This session will feature the development of interatomic potentials for complex systems with mixed and exotic glass formers, methodologies to extend the time and length scales in glass simulations, and other fronts and challenges in modeling and simulation of glasses.


Session Organizers

  • JJincheng Du, University of North Texas
  • Walter Kob, Universite Montpellier II
  • Carlo Massobrio, Institut de Physique et Chimie des
  • Matériaux de Strasbourg

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