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Modeling at the Intersection of First Principles Methods, Mechanics and Mathematics

Vikram GaviniUniversity of Michigan

Amartya Banerjee, LBL

Phanish Suryanarayana, Georgia Tech

The aim of this symposium is to bring together researchers interested in developing theoretical, numerical, and computational methods that are directed towards understanding the atomistic and mesoscopic underpinnings of materials behavior.

Areas of interest include, but are not limited to, the recent progress in
• Numerical methods for ab-initio calculations
• Mathematical formulations for systematic spatial and temporal coarse-graining of ab-initio and atomistic calculations
• Mathematics of microstructure evolution, and computational schemes such as cluster Hamiltonian methods, phase field crystal formulations and classical density functional theory
• Mesoscale methods including dislocation dynamics and statistical techniques for mesoscale physics
• Simulations (ab-initio, atomistic, mesoscale) aiding the understanding of materials behavior