Session 4: Computer Simulations and Modeling
This session will focus on understanding structure features; mechanical, thermodynamic, electrical, and other properties; and the chemical durability of glasses through classical and ab initio atomistic simulations, topological constraint theory, and other modeling methods. Advances in interpreting experimental structural data from X-ray and neutron diffraction, solid-state NMR and other spectroscopic methods by using atomistic simulations will be covered. This session will also 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.
- Jincheng Du, University of North Texas, USA
- Walter Kob, Universite Montpellier, France
- Carlo Massobrio, Institut de Physique et Chimie des Matériaux de Strasbourg, France