Network for Computational Nanotechnology (NCN) NanoElectronic Modeling with the NEMO toolkit on nanoHUB Jim Fonseca Network for Computational Nanotechnology.

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Presentation transcript:

Network for Computational Nanotechnology (NCN) NanoElectronic Modeling with the NEMO toolkit on nanoHUB Jim Fonseca Network for Computational Nanotechnology (NCN) Purdue University

2 Overview nanoHUB Nanoelectronics modeling NEMO5 engine NEMO-powered nanoHUB tools Best practices

3 nanoHUB.org 330,000 annual users 330 simulation tools »Nanoelectronics, nanophotonics, materials science, molecular electronics, carbon-based systems, Microelectromechanical systems 4,200 resources (video lectures, presentations, tutorials, etc.) nanoHUB-U (online courses) »Nanoscale transistors (Prof. Mark Lundstrom) »Fundamentals of Nanoelectronics (Prof. Supriyo Datta) »From Atoms to Materials: Predictive Theory and Simulations (Prof. Alejandro Strachan) »Principles of Electronic Nanobiosensors (Prof. Ashraf Alam)

4 $300 billion semiconductor industry International Technology Roadmap for Semiconductors (ITRS) Moore’s Law Countable number of atoms Quantum effects Devices (transistors) Smaller, faster, more energy efficient Designs, materials $300 billion semiconductor industry International Technology Roadmap for Semiconductors (ITRS) Moore’s Law Countable number of atoms Quantum effects Devices (transistors) Smaller, faster, more energy efficient Designs, materials Single atom transistorsTopological insulators Band-to-band tunneling Nanoelectronics Today Nature Nanotechnology 7, 242 (2012) Nature Physics 6, 584 (2010)IEEE Elec. Dev. Lett. 30, 602 (2009)

5 NEMO5 - Bridging the Scales From Ab-Initio to Realistic Devices Approach: Ab-initio: Bulk constituents Small ideal superlattices Map ab-initio to tight binding (binaries and superlattices) Current flow in ideal structures Study devices perturbed by: Large applied biases Disorder Phonons Ab-Initio Goal: Device performance with realistic extent, heterostructures, fields, etc. for new / unknown materials Problems: Need ab-initio to explore new material properties Ab-initio cannot model non- equilibrium. TCAD lacks real material physics TCAD

6 NEMO5 (on nanoHUB) NEMO5 »Academic and industrial use »Free for academic use »~30 developers currently »500,000 lines of code C++, python 3 rd party libraries »Input files 100s to 1000s of lines »3 ways to use NEMO5 Distribution and support group on nanoHUB –Source code available –nanoHUB workspace  Purdue’s RCAC clusters nanoHUB tools... solver { name = QTBM:bands_source_mode_contact type = Schroedinger iterator { set { active_regions = (1,2,3) allow_reinit_k_points = true automatic_threshold = true charge_model = electron_hole convergence_limit = 1.e-10 cutoff_distance_to_bandedge = 0.05 domain = source_mode_contact eigen_values_solver = krylovschur job_list = (assemble_H,passivate_H, calculate_band_structure) k_degeneracy = 1... } solver { name = QTBM:bands_drain_mode_contact type = Schroedinger...

7 NEMO5 on nanoHUB.org OMEN/NEMO5-based nanoHUB tools »Brillouin Zone Viewer Crystal theory »Crystal Viewer Visualize crystals, design your own »Bandstructure Lab Semiconductor fundamentals »1dhetero Poisson-Schroedinger Solver for 1 dimensional heterostructures »RTDNEGF – Calculate current through resonant tunneling diodes »Quantum Dot Lab Eigenstates (energy levels) of particle in a box system »nanoFET Calculate transport properties of transistors NEMO5 powered version of OMENwire, OMEN_FET »ITRS tool OMEN/PADRE/NEMO5 powered - (coming soon)

8 NEMO5 nanoHUB Usage Include one cool breakthrough image NEMO Powered Tools >18,000 Users >350,000 Simulation Runs >3,400 students in classroom

9 Bandstructure Lab ~100k Simulation Runs 6,000 Users Computes the electronic and phonon structure of various materials in the spatial configuration of bulk, quantum wells, and wires Various materials (Si, Ge, GaAs, etc. ) NEMO5 development -- Samik Mukherjee

10 Tool Development Timeline and Testing ~100 svn commits of Bandstructure Lab ~9200 commits of NEMO5 during development Jenkins » »Continuous integration and testing system »Alerts developers / owners Validity performance 12 bandstructure lab regression tests NEMO5OMENMATLAB ‘14‘13‘12‘11‘10‘09‘08‘07‘

11 Best Practices Multiple, noncurrent developers »Testing »activation Energy Development Guide and Resources »Linux »SVN »NEMO5 »nanoHUB »Rappture »Wrapper code Tcl, C »HPC systems

12 NEMO Agenda, Funding, and Leverage NSF-NEB NSF-OCI Tunneling Transistors GaN, MoS 2 Contacts, HEMTs Industrial Use Industrial Development Peta-Scale Computing Quantum Computing NSF- NCN 18,000 users IntelSamsung TSMCPhilips

13 iNEMO Group PI: Gerhard Klimeck 3 Research Faculty: Tillmann Kubis, Michael Povolotskyi, Rajib Rahman Research Scientist: Jim Fonseca 2 Postdocs: Bozidar Novakovic, Jun Huang Students: Kyle Aitken, Tarek Ameen, Yamini Bansal, James Charles, Chin-Yi Chen, Fan Chen, Yuanchu (Fabio) Chen, Rifat Ferdous, Jun Zhe Geng, Yu He, Yuling Hsueh, Jun Huang, Hesameddin Ilatikhameneh, Zhengping Jiang, Daniel Lemus, Pengyu Long, Daniel Mejia Padilla, Kai Miao, Samik Mukherjee, Ahmed kamal Reza, Santiago Rubiano, Harshad Sahasrabudhe, Mehdi Salmani Jelodar, Prasad Sarangapani, Saima Sharmin, Yaohua Tan, Yui Hong Tan, Archana Tankasala, Daniel Valencia Hoyos, KuangChung Wang, Yu Wang, Evan Wilson SURF Students: Josef Borga, Woody Gilbertson, Kevin Margatan, Vincent Ntarugera, Travis Shepherd, Zach Schaffter