The modeling and simulation of defects in materials at the atomic scale is a prominent topic in solid-state physics, chemistry, materials science and nanotechnologies. Besides its importance for the applications, it is also a rich field of research for mathematicians, which gives rise to many interesting mathematical and numerical questions (modeling and simulation of infinite, weakly disordered, quantum systems, in the presence of long-range interactions). The purpose of this workshop is to gather experts of different communities to discuss the state-of-the-art models and numerical methods used to compute the properties of materials with atomic-scale defects. Both quantum and classical models will be considered, and several topics will be covered, including:
It is the goal of this workshop to bring together mathematicians, physicists, computer scientists, materials scientists and engineers who work in the area of materials defects. We expect this workshop will attract junior as well as senior participants.
This workshop will include a poster session; a request for posters will be sent to registered participants in advance of the workshop.
(École Nationale des Ponts-et-Chaussées, Applied Mathematics)
Kristen Fichthorn (Pennsylvania State University)
Graeme Henkelman (University of Texas at Austin, Department of Chemistry)
Nick Kioussis (California State University, Northridge (CSU Northridge))
Axel Voigt (Technishche Universtitat Dresden)