Computational Nanotechnology

NSF grant to grow users, translate nanoscience into nanotechnology

The Network for Computational Nanotechnology received a five-year $18.25 million grant from the National Science Foundation to support the U.S. National Nanotechnology Initiative with expanded capabilities and services for computer simulations.

Complete atom-by-atom transistor simulation run in 15 minutes

A simulation of electrical current moving through a futuristic electronic transistor has been modeled atom-by-atom in less than 15 minutes by Purdue University researchers.

Re-thinking electronics - from the bottom up

"Electronics from the Bottom Up" summer schools are conducted annually and then freely distributed through nanoHUB.org.

Quantum computing breakthrough arises from unknown molecule

The odd behavior of a molecule in an experimental silicon computer chip has led to a discovery that opens the door to quantum computing in semiconductors.

About the research

Description to follow.


Principal Investigators

Alam

Theory, simulation, characterization, and compact modeling of semiconductor electronic, optoelectronic, and bio-electronic devices

Muhammad A. Alam

Theory, simulation, characterization, and compact modeling of semiconductor electronic, optoelectronic, and bio-electronic devices

Clark

My research concerns the design, modeling, simulation, and verification of complex engineered systems. The overarching goal is to develop the next generation of system-level computer-aided engineering and metrology tools to foster and accelerate advancement in tiny technologies for solving societal-scale problems. Application areas include robotics, health, safety, ecology, transportation, communication, and commerce.

Jason Vaughn Clark

My research concerns the design, modeling, simulation, and verification of complex engineered systems. The overarching goal is to develop the next generation of system-level computer-aided engineering and metrology tools to foster and accelerate advancement in tiny technologies for solving societal-scale problems. Application areas include robotics, health, safety, ecology, transportation, communication, and commerce.

cooper

Wide bandgap semiconductor devices, power switching devices, MOS device physics, graphene nanoelectronics

James A. Cooper

Wide bandgap semiconductor devices, power switching devices, MOS device physics, graphene nanoelectronics

datta

Nanoelectronics, Nanoscale electronic transport, Spin electronics, nanoscale energy conversion, molecular electronics and mesoscopic superconductivity

Supriyo Datta

Nanoelectronics, Nanoscale electronic transport, Spin electronics, nanoscale energy conversion, molecular electronics and mesoscopic superconductivity

kais

The research in our group is mainly devoted to developing new theoretical methods to treat quantum phase transitions, quantum criticality, quantum information and quantum computing, electronic structure and dynamics of molecules, clusters, quantum dots and extended systems.

Sabre Kais

The research in our group is mainly devoted to developing new theoretical methods to treat quantum phase transitions, quantum criticality, quantum information and quantum computing, electronic structure and dynamics of molecules, clusters, quantum dots and extended systems.

Klimeck

Nanoelectronic device analysis and synthesis, genetic algorithm based optimization, high performance computing, engineering tool development

Gerhard Klimeck

Nanoelectronic device analysis and synthesis, genetic algorithm based optimization, high performance computing, engineering tool development

Lundstrom

The physics of electronic devices, especially nanoscale transistors and novel devices for computing, communication, and energy conversion and storage

Mark Lundstrom

The physics of electronic devices, especially nanoscale transistors and novel devices for computing, communication, and energy conversion and storage

Lyanda-Geller

Mesoscopic physics and interference phenomena
Transport and Optical phenomena in nanostructures
Physics of Quantum Information

Yuli Lyanda-Geller

Mesoscopic physics and interference phenomena
Transport and Optical phenomena in nanostructures
Physics of Quantum Information

Chen

Computational fluid dynamics and heat transfer, Finite volume methods and unstructured mesh techniques, Numerical methods for radiative transport, Reduced order modeling, Numerical methods for multiphase flows, Heat and mass transfer in micromanufacturing, Microscale heat transfer, Electronics cooling, Applications in aerospace, automotive, glass, and chemical-process industries

Jayathi Murthy

Computational fluid dynamics and heat transfer, Finite volume methods and unstructured mesh techniques, Numerical methods for radiative transport, Reduced order modeling, Numerical methods for multiphase flows, Heat and mass transfer in micromanufacturing, Microscale heat transfer, Electronics cooling, Applications in aerospace, automotive, glass, and chemical-process industries

Raman

Nonlinear and stochastic dynamics of micro and nano-oscillators, nanotube/nanowire vibrations, development of new imaging and force spectroscopy modes in dynamic Atomic Force Microscopy, dynamic AFM in liquids, nanobiomechanics, physics of adhesion and stiction at the micro and nanoscale, chem/bio sensing using micro and nanocantilevers, mechanics and reliability of RF MEMS, gas damping in MEMS/NEMS, reduced order modeling of MEMS/NEMS

Arvind Raman

Nonlinear and stochastic dynamics of micro and nano-oscillators, nanotube/nanowire vibrations, development of new imaging and force spectroscopy modes in dynamic Atomic Force Microscopy, dynamic AFM in liquids, nanobiomechanics, physics of adhesion and stiction at the micro and nanoscale, chem/bio sensing using micro and nanocantilevers, mechanics and reliability of RF MEMS, gas damping in MEMS/NEMS, reduced order modeling of MEMS/NEMS

rokhinson

Nanophysics, nanotechnology, fabrication techniques, mesoscopic and low dimensional physics, physics at low temperatures and high magnetic fields, spintronics, ferromagnetism and multiferroics, graphene materials, quantum computing and information

Leonid Rokhinson

Nanophysics, nanotechnology, fabrication techniques, mesoscopic and low dimensional physics, physics at low temperatures and high magnetic fields, spintronics, ferromagnetism and multiferroics, graphene materials, quantum computing and information

Shalaev

Optical properties of nanostructured materials, nonlinear optics and spectroscopy, mesoscopic physics, quantum electronics and optoelectronics

Vladimir M. Shalaev

Optical properties of nanostructured materials, nonlinear optics and spectroscopy, mesoscopic physics, quantum electronics and optoelectronics

Strachan

Develop and validate atomistic and mesoscale computational models to describe materials processes and properties from first principles and their application to: Characterize the molecular-level mechanisms that govern mechanical, thermal, chemical and electro-mechanical properties of materials of technological relevance; Develop composition-structure-property relationships that can help guide the design of new materials with improved properties and specific functionalities.

Alejandro H. Strachan

Develop and validate atomistic and mesoscale computational models to describe materials processes and properties from first principles and their application to: Characterize the molecular-level mechanisms that govern mechanical, thermal, chemical and electro-mechanical properties of materials of technological relevance; Develop composition-structure-property relationships that can help guide the design of new materials with improved properties and specific functionalities.

 

BNC/NCN affiliated publications

(see all)

Boykin, T.B., Luisier, M., Klimeck, G., Jiang, X.P., Kharche, N., Zhou, Y. and Nayak, S.K. Accurate six-band nearest-neighbor tight-binding model for the pi-bands of bulk graphene and graphene nanoribbons. Journal of Applied Physics, 109(10).

Chen, L.L., Bao, H., Tan, T.Z., Prezhdo, O.V. and Ruan, X.L. Shape and Temperature Dependence of Hot Carrier Relaxation Dynamics in Spherical and Elongated CdSe Quantum Dots. Journal of Physical Chemistry C, 115(23), 11400-11406.

Daskin, A. and Kais, S. Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians. Journal of Chemical Physics, 134(14).

Daskin, A. and Kais, S. Group leaders optimization algorithm. Molecular Physics, 109(5), 761-772.

Jeong, C., Datta, S. and Lundstrom, M. Full dispersion versus Debye model evaluation of lattice thermal conductivity with a Landauer approach. Journal of Applied Physics, 109(7).

Jeong, C. and Lundstrom, M. On Electronic Structure Engineering and Thermoelectric Performance. Journal of Electronic Materials, 40(5), 738-743.

Kharche, N., Klimeck, G., Kim, D.H., del Alamo, J.A. and Luisier, M. Multiscale Metrology and Optimization of Ultra-Scaled InAs Quantum Well FETs. IEEE Transactions on Electron Devices, 58(7), 1963-1971.

Kim, H. and Strachan, A. Molecular dynamics characterization of the contact between clean metallic surfaces with nanoscale asperities. Physical Review B, 83(2).

Kim, S., Luisier, M., Paul, A., Boykin, T.B. and Klimeck, G. Full Three-Dimensional Quantum Transport Simulation of Atomistic Interface Roughness in Silicon Nanowire FETs. IEEE Transactions on Electron Devices, 58(5), 1371-1380.

 

BNC-affiliated grants and contracts

(see all)

Klimeck, Gerhard , from Cornell University, $156,858, "A TeraGrid Matlab Cluster - Exploring New Services for an XD Future."

Schwartz, Richard J., from Dupont,E.I. Denemours And Company, $496,735, "Detailed Numerical Device Modeling in Support of the VHESC Program."

Lundstrom, Mark S., from Massachusetts Institute Of Technology, $568,660, "Theory, Modeling, and Simulation of Nanotransistors."

Clark, Jason Vaughn, from Carnegie-Mellon University, $104,746, "CDI - Type II:  Building a Virtual Micro/Nanosystems DesignCommunity."

Klimeck, Gerhard , from Purdue Research Foundation: Xr Grant, $16,750, "09-10 XR Research Grant."