Computational Modeling and Simulation

Computational Modeling and Simulation
Key calculations performed on supercomputers
The goal of this crucial project is to develop and apply advanced software tools, simulation methods, multi-scale modelling methods and algorithms to support and guide the development activities in Egypt-IBM Nanotechnology Research Center’s photovoltaic projects.

Accomplishments:

• Developed an understanding of key questions that could be solved through computational modeling.
• Established infrastructure for simulations on the IBM BlueGene supercomputer.
• Developed an ab initio (“from first principles”) model framework for studying the electronic properties of doped graphene sheets.
• Initiated a multi-scale simulation framework to investigate silicon nanostructures; initial calculations are underway.