Focus of the symposium

This symposium is organized as part of M&AE 715 - Atomistic Modeling of Materials (Spring 2009) and it includes presentations of the graduate students that participated in the course. The presentations include electronic structure calcualations, density functional theory, first-principles MC and MD simulations, Ab-initio thermodynamics and coarse-graining methods. All abstracts, presentations and papers will become available a day or two before the symposium day.

Symposium participants

Participant	Title	Abstract	Presentation	Paper
Bin Wen	Molecular Dynamics simulation of dislocation motion	PDF	PDF	PDF
Kiran Mathew	Crystal structure prediction using cluster expansion	PDF	PDF	PDF
Mike Campolongo	Elastic moduli of carbon nanotubes computed using tight binding methods	PDF	PPT	PDF
Jing Ning	Phase Diagrams using ATAT (Alloy Theoretic Automated Toolkit)	PDF	PPT	PDF
Will Tipton	DFT++ Through Genetic Optimization Algorithms	PDF	PDF	PDF
Senthil Mudaliar	Using Molecular Dynamics to Study Membrane-Proteins	PDF	PDF	PDF
Mark Hartman	Photonic Band Gap of Dielectric Spheres in a Diamond Lattice	PDF	PPT	PDF
Huolin Xin	An ab initio study of the silicon L2,3 near edge fine structure in electron energy loss spectroscopy	PDF	PDF	PDF