The Birck Nanotechnology Center (BNC) leverages advances in nanoscale science and engineering to create innovative nanotechnologies addressing societal challenges and opportunities in computing, communications, the environment, security, energy independence, and health.

This series contains nanotechnology publications published through the Birck Nanotechnology Center at Purdue University.

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Publications from 2013

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Optical TCAD on the Net: A tight-binding study of inter-band light transitions in self-assembled InAs/GaAs quantum dot photodetectors, Hoon Ryu, Dukyun Nam, Bu-Young Ahn, JongSuk Ruth Lee, Kumwon Cho, Sunhee Lee, Gerhard Klimeck, and Mincheol Sin

Publications from 2011

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Subband Engineering for p-type Silicon Ultra-Thin Layers for Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck, and Hans Kosina

Publications from 2010

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Universality of non-Ohmic shunt leakage in thin-film solar cells, Sourabh Dongaonkar, J. D. Servaites, G. M. Ford, S. Loser, R. M. Gelfand, H. Mohseni, Hugh Hillhouse, R. Agrawal, M. A. Ratner, T. J. Marks, Mark S. Lundstrom, and Muhammad A. Alam

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nanoHUB.org Serving Over 120,000 Users Worldwide: It's First Cyber-Environment Assessment, Krishna PL.C. Madhavan, Diane Beaudoin, Swaroop Shivarajapura, George B. Adams III, and Gerhard Klimeck

Publications from 2008

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1D hetero-structure tool for atomistic simulation of nano-devices, Samarth Agarwal, Kaushik Balamukundhan, Neophytos Neophytou, and Gerhard Klimeck

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Carbon nanotubes for high-performance electronics - Progress and prospect, Joerg Appenzeller

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Toward Nanowire Electronics, Joerg Appenzeller, Joachim Knoch, Mikael Bjoerk, Heike Riel, Heinz Schmid, and Walter Riess

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A Nano-electronics Simulator for Petascale Computing: From NEMO to OMEN, Hansang Bae, Steve Clark, Ben Haley, Ryu Hoon, Gerhard Klimeck, Sunhee Lee, Mathieu Luisier, and Faisal Saied

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Evolution time and energy uncertainty, Timothy B. Boykin, Neerav Kharche, and Gerhard Klimeck

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Multiband transmission calculations for nanowires using an optimized renormalization method, Timothy B. Boykin, Mathieu Luisier, and Gerhard Klimeck

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Release of hydrophobic molecules from polymer micelles into cell membranes revealed by Forster resonance energy transfer imaging, Hongtao Chen, Sungwon Kim, Shuyi Wang, Kinam Park, and Ji-Xin Cheng

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Externally assembled gate-all-around carbon nanotube field-effect transistor, Zhihong Chen, Damon Farmer, Sheng Xu, Roy Gordon, Phaedon Avouris, and Joerg Appenzeller

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A Three-Dimensional Simulation Study of the Performance of Carbon Nanotube Field-Effect Transistors with Doped Reservoirs and Realistic Geometry, Gianluca Fiori, Giuseppe Iannaccone, and Gerhard Klimeck

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Field-Effect Transistors with Doped Reservoirs and Realistic Geometry, Gianluca Fiori, Giuseppe Iannaccone, and Gerhard Klimeck

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Atomistic non-equilibrium Green's function simulations of Graphene nano-ribbons in the quantum hall regime, Roksana Golizadeh-Mojarad, Abu Naser M. Zainuddin, Gerhard Klimeck, and Supriyo Datta

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Atomistic NEGF Simulations of Carbon Nano-Ribbons in Magnetic Fields, Roksana Golizadeh-Mojarad, A.N.M. Zainuddin, Shaikh S. Ahmed, Gerhard Klimeck, and Supriyo Datta

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Modeling and simulation of field-effect biosensors (BioFETs) and their deployment on the nanoHUB, Clemens Heitzinger, Rick Kennell, Gerhard Klimeck, Norbert Mauser, Michael McLennan, and Christian Ringhofer

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Optimization of Gate Leakage and NBTI for Plasma-Nitrided Gate Oxides by Numerical and Analytical Models, Ahmad Ehteshamul Islam, Souvik Mahapatra, and Muhammad A. Alam

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Electronic structure and transmission characteristics of SiGe nanowires, Neerav Kharche, Mathieu Luisier, Timothy B. Boykin, and Gerhard Klimeck

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Valley splitting in strained silicon quantum wells modeled with 2 deg miscuts, step disordere, and alloy disorder, Neerav Kharche, Marta Prada, Timothy B. Boykin, and Gerhard Klimeck

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From NEMO1D and NEMO3D to OMEN: Moving Towards Atomistic 3-D Quantum Transport in Nano-scale Semiconductors, Gerhard Klimeck and Mathieu Luisier

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nanoHUB.org: Advancing Education and Research in Nanotechnology, Gerhard Klimeck, Michael McLennan, Sean B. Brophy, George B. Adams III, and Mark S. Lundstrom

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nanoHUB.org - online simulation and more materials for semiconductors and nanoelectronics in education and research, Gerhard Klimeck, Michael McLennan, Mark S. Lundstrom, and George B. Adams III

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Tunneling phenomena in carbon nanotube field-effect transistors, Joachim Knoch and Joerg Appenzeller

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Outperforming the conventional scaling rules in the quantum-capacitance limit, Joachim Knoch, W Riess, and Joerg Appenzeller

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Influence of Phonon Scattering on the Performance of p-i-n Band-to-Band-Tunneling Transistors, Siyuranga O. Koswatta

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Nonequilibrium Green's function treatment of phonon scattering in carbon nanotube transistors, Siyuranga O. Koswatta

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Influence of Phonon Scattering on the Performance of p-i-n Band-to-Band Tunneling Transistors, Siyuranga O. Koswatta, Mark S. Lundstrom, and Dmitri E. Nikonov

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Level Spectrum of Single Gated As Donors, Gabriel P. Lansbergen, Rajib Rahman, J. Caro, N. Collaert, S. Biesemans, Gerhard Klimeck, S. Rogge, and L.C. L. Hollenberg

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Transport-based Dopant Metrology in Advanced FinFETs, Gabriel P. Lansbergen, Rajib Rahman, Cameron J. Wellard, Jaap Caro, Nadine Collaert, Serge Biesemans, Gerhard Klimeck, Lloyd C. L. Hollenberg, and Sven Rogge

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Determination of the Eigenstates and Wavefunctions of a Single Gated As Donor, Gabriel P. Lansbergen, R. Rahman, C. J. Wellard, P. E. Rutten, J. Caro, I. Woo, N. Colleart, S. Biersemans, and Gerhard Klimeck

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Level Spectrum of Single Gated As Donors, G. P. Lansbergen, R. Rahman, J. Caro, N. Collaert, S. Biesemans, L. C. L. Hollenberg, S. Rogge, and Gerhard Klimeck

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Band-Structure Effects on the Performance of III-V Ultrathin-Body SOI MOSFETs, Yang Liu, Neophytos Neophytou, Gerhard Klimeck, and Mark S. Lundstrom

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A Tight-Binding Study of the Ballistic Injection Velocity for Ultrathin-Body SOI MOSFETs, Yang Liu, Neophytos Neophytou, Tony Low, Gerhard Klimeck, and Mark Lundstrom

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A parallel sparse linear solver for nearest-neighbor tight-binding problems, Mathieu Luisier, Wolfgang Fichtner, Andreas Schenk, Timothy B. Boykin, and Gerhard Klimeck

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A Multi-level parallel simulation approach to electron transport in nano-scale transistors, Mathieu Luisier Purdue University - Main Campus and Gerhard Klimeck

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Full-band and atomistic simulation of n- and p-doped double-gate MOSFETs for the 22nm technology node, Mathieu Luisier Purdue University - Main Campus and Gerhard Klimeck

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OMEN an atomistic and full-band quantum transport simulator for post-CMOS nanodevices, Mathieu Luisier and Gerhard Klimeck

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Full-Band and Atomisic Simulation of Realistic 40 nm InAs HEMT, Mathieu Luisier, Neophytos Neophytou, Neerav Kharche, and Gerhard Klimeck

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NEMO-3D based atomistic simulation of a double quantum dot structure for spin-blockaded transport, Bhaskaran Muralidharan, Hoon Ryu, Zhen Huang, and Gerhard Klimeck

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Eigenvalue solvers for atomistic simulations of electronic structures with NEMO-3D, Maxim Naumov, Sunhee Lee, Ben Haley, H. Bae, Steve Clark, Rajib Rahman, Hoon Ryu, Faisal Saied, and Gerhard Klimeck

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Simulations of nanowire transistors: atomistic vs. effective mass models, Neophytos Neophytou, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck

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Electronic structure and transport in silicon nano-structures with non-ideal bonding environments, Amritanshu Palaria, Gerhard Klimeck, and Alejandro Strachan

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Orientation dependence of the charge distribution and quantum capacitance in silicon nanowire transistors, Abhijeet Paul Purdue University - Main Campus, Neophytos Neophytou, and Gerhard Klimeck

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High Precision Quantum Control of Single Donor Spins in Silicon, Rajib Rahman, Cameron J. Wellard, Forrest R. Bradbury, Marta Prada, Jared H. Cole, Gerhard Klimeck, and Lloyd C. L. Hollenberg

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Contact Block Reduction Method for Ballistic Quantum Transport with Semi-empirical sp3d5s* Tight Binding band models, Hoon Ryu and Gerhard Klimeck

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Phonon runaway in carbon nanotube quantum dots, L Siddiqui, A W. Ghosh, and Supriyo Datta

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Atomistic tight binding study of strain-reduced confinement potentials in identical and non-identical InAs/GaAs vertically stacked quantum dots, Muhammad Usman, Shaikh Ahmed, and Gerhard Klimeck

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Strain-engineered self-organized InAs/GaAs quantum dots for long wavelength (1.3µm-1.5µm) optical applications, Muhammad Usman, Dragica Vasileska, and Gerhard Klimeck

Publications from 2007

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Quantum Simulations of Dual Gate MOSFET Devices: Building and Deploying Community Nanotechnology Software Tools on nanoHUB.org, Shaikh Ahmed, Gerhard Klimeck, Derrick Kearney, Michael McLennan, and M. P. Anantram

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Bacteria-mediated delivery of nanoparticles and cargo into cells, Demir Akin, Kathy Ragheb, Jennifer Sturgis, Debby Sherman, Kristen Burkholder, J. Paul Robinson, Arun K. Bhunia, Sulma Mohammed, and Rashid Bashir

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1/f noise in carbon nanotube devices - On the impact of contacts and device geometry, Joerg Appenzeller, Yu-Ming Lin, Joachim Knoch, Zhihong Chen, and Phaedon Avouris

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Large Scale Simulations of Nanoelectronic devices with NEMO3-D on the Teragrid, Hansang Bae, Steve Clark, Gerhard Klimeck, Sunhee Lee, Maxim Naumov, and Faisal Saied

Controlling interfacial curvature in nanoporous silica films formed by evaporation-induced self-assembly from nonionic surfactants. I. Evolution of nanoscale structures in coating solutions, Luis Bollmann, Vikrant Urade, and Hugh Hillhouse

Brillouin-zone unfolding of perfect supercells having nonequivalent primitie cells illustrated with a Si/Ge tight-binding parameterization, Timothy B. Boykin, Neerav Kharche, and Gerhard Klimeck

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Approximate bandstructures of semiconductor alloys from tight-binding supercell calculations, Timothy B. Boykin, Neerav Kharche, Gerhard Klimeck, and Marek Korkusinski

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The electronic structure and transmission characteristics of disordered AlGaAs nanowires, Timothy B. Boykin, Mathieu Luisier, Andreas Schenk, Neerav Kharche, and Gerhard Klimeck

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The Electronic Structure and Transmission Characteristics of Disordered AlGaAs Nanowires, Timothy B. Boykin, Mathieu Luisier, Andreas Schenk, Neerav Kharche, and Gerhard Klimeck

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Coupled mode space approach for the simulation of realistic carbon nanotube field-effect transistors, Gianluca Fiori, Giuseppe Iannaccone, and Gerhard Klimeck

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Chemical kinetic considerations for postflame synthesis of carbon nanotubes in premixed flames using a support catalyst, Prarthana Gopinath and Jay P. Gore

Computational aspects of the three-dimensional feature-scale simulation of silicon-nanowire field-effect sensors for DNA detection, Clemens Heitzinger and Gerhard Klimeck

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In vivo quantitation of rare circulating tumor cells by multiphoton intravital flow cytometry, Wei He, Haifeng Wang, Lynn C. Hartmann, Ji-Xin Cheng, and Phillip S. Low

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NEMO-3D based Atomistic Simulation of a Double Quantum Dot Structure for Spin-Blockaded Transport, Z. Huang, B. Muralidharan, H. Ryu, Gerhard Klimeck, and S. Datta

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Hyperthermic effects of gold nanorods on tumor cells, Terry B. Huff, Ling Tong, Matthew N. Hansen, Ji-Xin Cheng, and Alexander Wei

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Understanding Coulomb effects in nanoscale Schottky-barrier-FETs, Klaus M. Indlekofer, Joachim Knoch, and Joerg Appenzeller

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Critical analysis of short-term negative bias temperature instability measurements: Explaining the effect of time-zero delay for on-the-fly measurements, Ahmad Ehteshamul Islam, Haldun Kufluoglu, Dhanoop Varghese, and Muhammad A. Alam

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Recent Issues in Negative-Bias Temperature Instability: Initial Degradation, Field Dependence of Interface Trap Generation, Hole Trapping Effects, and Relaxation, Ahmad Ehteshamul Islam, Haldun Kufluoglu, Dhanoop Varghese, Souvik Mahapatra, and Muhammad A. Alam

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Gaseous slip flow analysis of a micromachined flow sensor for ultra small flow applications, Jaesung Jang and Steven Wereley

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Fabrication of fully transparent nanowire transistors for transparent and flexible electronics, Sanghyun Ju, Antonio Facchetti, Xi XUAN, Jun Liu, Fumaiki Ishikawa, P. D. Ye, Chongwu Zhou, Tobin J. Marks, and David B. Janes

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Fabrication of fully transparent nanowire transistors for transparent and flexible electronics, Sanghyun Ju, Antonio Facchetti, Yi Xuan, Jun Liu, Fumaiki Ishikawa, P. D. Ye, Chongwu Zhou, Tobin J. Marks, and David B. Janes

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High performance ZnO nanowire field effect transistors with organic gate nanodielectrics: effects of metal contacts and ozone treatment, Sanghyun Ju, Kangho Lee, Myung-Han Yoon, Antonio Facchetti, Tobin J. Marks, and David B. Janes

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N-type field-effect transistors using multiple Mg-doped ZnO nanorods, Sanghyun Ju, Jianye Li, Ninad Pimparkar, Muhammad A. Alam, R. P. H. Chang, and David B. Janes

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Negative resist behavior of neutral sodium atoms deposited on self-assembled monolayers, Sanghyun Ju, A.K. Mills, Qingling Hang, Daniel S. Elliott, and David B. Janes

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High Performance Electronics Based on Dense, Perfectly Aligned Arrays of Single Walled Carbon Nanotubes, Seong Jun Kang, Coskun Kocabas, Taner Ozel, Moonsub Shim, Ninad Pimparkar, Muhammad A. Alam, Slava Rotkin, and John A. Rogers

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Heterogeneous wafer-scale circuit architectures, Linda Katehi, William J. Chappell, Saeed Mohammadi, Alexandros Margomenos, and Michael Steer

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A wideband PVDF-on-silicon ultrasonic transducer array with microspheres embedded low melting temperature alloy backing, Hyun-Joong Kim, Hanwoo Lee, and Babak Ziaie

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Atomistic simulation of realistically sized nanodevices using NEMO 3-D - Part I: Models and benchmarks, Gerhard Klimeck, Shaikh S. Ahmed, Hansang Bae, Neerav Kharche, Rajib Rahman, Steve Clark, Benjamin Haley, Sunhee Lee, Maxim Naumov, Hoon Ryu, Faisal Saied, Marta Prada, Marek Korkusinski, and Timothy Boykin

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Atomistic simulation of realistically sized nanodevices using NEMO 3-D - Part II: Applications, Gerhard Klimeck, Shaikh S. Ahmed, Neerav Kharche, Marek Korkusinski, Muhammad Usman, Marta Prada, and Timothy Boykin

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Physics of ultrathin-body silicon-on-insulator Schottky-barrier field-effect transistors, Joachim Knoch, M Zhang, Joerg Appenzeller, and S Mantl

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Computational Model for Transport in Nanotube-Based Composites with Applications to Flexible Electronics, Satish Kumar, Muhammad A. Alam, and Jayathi Y. Murthy

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Integration of hydrogels with hard and soft microstructures, Ming Li, Babak Ziaie, Eric Nuxoll, Kristóf Iván, and Ronald A. Siegel

Electrical transport and 1/f noise in semiconducting carbon nanotubes, Yu-Ming Lin, Joerg Appenzeller, Zhihong Chen, and Phaedon Avouris

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Transport calculation of semiconductor nanowires coupled to quantum well reservoirs, Mathieu Luisier, Andreas Schenk, Wolfgang Fichtner, and Gerhard Klimeck

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Electrical readouts of single and few molecule systems in metal-molecule-metal device structures, Ajit K. Mahapatro and David B. Janes

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Sequence specific electronic conduction through polyion-stabilized double-stranded DNA in nanoscale break junctions, Ajit K. Mahapatro, Kyung J. Jeong, Gil U. Lee, and David B. Janes

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Energy dispersion relations for holes inn silicon quantum wells and quantum wires, Vladimir Mitin, Nizami Vagidov, Mathieu Luisier, and Gerhard Klimeck

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Generic model for current collapse in spin-blockaded transport, Bhaskaran Muralidharan and Supriyo Datta

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Theory of high bias coulomb blockade in ultrashort molecules, Bhaskaran Muralidharan, Avik W. Ghosh, Swapan K. Pati, and Supriyo Datta

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Eigenvalue Solvers for Atomistic Simulations of Electronic Structures with NEMO-3D, Maxim Naumov, Sunhee Lee, Ben Haley, Rajib Rahman, Hoo Ryu, Faisal Saied, Steve Clark, and Gerhard Klimeck

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Influence of vacancies on metallic nanotube transport properties, Neophytos Neophytou, Shaikh Ahmed, and Gerhard Klimeck

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Non-equilibrium Green's function (NEGF) simulation of metallic carbon nanotubes including vacancy defects, Neophytos Neophytou, Shaikh Ahmed, and Gerhard Klimeck

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Simulations of nanowire transistors: Atomistic vs. Effective Mass Models, Neophytos L. Neophytou, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck

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Self-consistent simulations of nanowire transistors using atomistic basis sets, Neophytos Neophytou, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck