Numerous simulation methods and tools are available today for describing a material accurately and efficiently on a particular scale. The use of the various simulation tools is often hampered by a steep learning curve, which makes them unlikely to be adopted in an industrial setup. Moreover, due to the lack of coherent standardized simulation frameworks, users are expected to prepare and develop their own specialized tools to pre-process input files and build initial models, then convert simulation results into a suitable post-processing application, for example for visualization or calculation of additional properties as input for passing to other single scale tools. These operations lead to an unnecessary waste of resources and constitute a serious barrier for the broader use of nano-scale simulations.

In a new EU FP7 project a group of researchers at the Technion, and several European Universities and Institues will prepare a unified environment forsuch simulations. The Technion part will  include python interfaces  to  their AViz visualization package. Graduate students and programmers are being sought to join this exciting project.

One of the prototype models will be a vibrating nanotube system to be used as a mass sensor where the  current molecular dynamics atomistic level of study will be extended to the electonic structure of the tube at its suspension points.. Interfaces between the atomistic and electronic scales as well as with the AViz visualization package for both levels will be created.