1. Network for Computational Nanotechnology (NCN) Purdue, Norfolk State, Northwestern, MIT, Molecular Foundry, UC Berkeley, Univ. of Illinois, UTEP Multi materials based nanowire Siqi Wang Network for Computational Nanotechnology (NCN) Electrical and Computer Engineering wang340@purdue.edu

2. Gerhard Klimeck Master->Slide Master” Nano-wire online simulation Objective: To modify the existing widely used tool, nanowire Problem: The current nanowire tool lacks the material diversity, and is time consuming Approach:.Our group modify the existing code. Testify different combinations of calculating CPU Research materials parameters and characteristics Generate new approach for the existing script Results / Impact: Now users could run the tool with much less time and more materials options Potentially more users will use this tool In the future, the simulation could be used in more complicated IC design Include one cool breakthrough image

3. Gerhard Klimeck Master->Slide Master” Why nanowire simulator? Device structures in nanowire. Nanowire development history and my involvement Overview of nanowire code structure Conclusion Acknowledgemet outline

4. Gerhard Klimeck Master->Slide Master” 4 Introduction Nano scale Structure and layout >50 million atoms Silicon nanowire transistors are promising device in IC design Property: a genuinely 3D distribution of electron density and electrostatic potential Advantage: effective-mass mode space approach produces high computational efficiency Application: extensive device simulation and design

5. Gerhard Klimeck Master->Slide Master” Simulation device structure Phases :.Simulation options.Structure.Materials Options :. transport model.scattering.valleys.eigenvalues.fineness factor Problems :. Only one material(silicon) available.Under certain circumstances, run out of the 4 hour quota

6. Gerhard Klimeck Master->Slide Master” Development Overview Creation Jing Wang 2004 nanowire 1.0 Rappture interface Fixed errors Rappture interface New version written in python Eric Polizzi Clemens Heitzinger 2008 nanowire 2.0 2009 nanowire 2.1 Hong Hyun Park 2010 Siqi Wang Lang Zeng Siqi Wang Lang Zeng

7. Gerhard Klimeck Master->Slide Master” The development under current stage Change of submission part of the driving code Change the corresponding Simsn code Test the time cost of different numbers of calculating CPU Test the code with multiple input combinations Add three more material options Add three crystal orients Rappture interface Test and estimate the calculation time Stage 1 Stage 2

8. Gerhard Klimeck Master->Slide Master” Sample outcomes Updated phase Materials Orients

9. Gerhard Klimeck Master->Slide Master” Sample Outcomes Simulated Results Potential profile 3D density profile

10. Gerhard Klimeck Master->Slide Master” Sample Outcomes More Results 2D mesh image 3D mode plot

11. Gerhard Klimeck Master->Slide Master” Overview of nanowire code structure Main code Bin Middleware Rappture Src Output- input Output- log Invoke Tool.xml Run.py Generate _grid.py Simsn Structure Material

12. Gerhard Klimeck Master->Slide Master” Future improvement Tool More quantum mechanics applications More semiconducting materials Better operating interface Calculation Make the time shorter Fewer driving CPU Better estimating time period

13. Gerhard Klimeck Master->Slide Master” Conclusion Overviewed nanowire development history Demonstrated improvement of the existing code sample Demonstrated Rappture interface as software sample GOAL: Deliver a comprehensive documentation and understanding of nanowire, especially software wise.

14. Gerhard Klimeck Master->Slide Master” Acknowledge Professor Gerhard Klimeck. Graduate student mentors: Hong Hyun Park, Lang Zeng Funding and support from my advisor and Surf program. Encouragement and help when needed from my colleagues. All nanohub surf members. Surf program staff. As always, thank and love to my entire family.