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Nanotechnology Conference and Trade Show - Nanotech 2006

Conference Proceedings

Sixth International Conference on

Computational Nanoscience and Nanotechnology

May 7 - 11, 2006
Hynes Convention Center
Boston, Massachusetts, U.S.A.

An Interdisciplinary Integrative Forum on
Nanotechnology Computational Efforts in the Biology,
Chemistry, Physics and Materials fields.

Conference Co-Chairs

Nick Quirke
Chair in Physical Chemistry, Imperial College London, UK
(speaker biography)

Wolfgang Windl
Associate Professor, Ohio State University, US
(speaker biography)

Confirmed Speakers

	Computer Modeling and Simulation of Soft Nanostructured Materials Hans Fraaije, Culgi Group, Leiden, NL (speaker biography)
	Nanostructure and Property Modeling using Atomistic, Mesoscale and Finite Element Techniques Gerhard Goldbeck-Wood, Accelrys, Inc. (speaker biography)

Interaction of Fluids with Nanomaterials: Insights from molecular simulation
Nick Quirke, Chair in Physical Chemistry, Imperial College London, UK
(speaker biography)

Symposium Sessions
	Monday May 8
10:30	ICCN: Nanoscale Modeling
1:30	ICCN: Nanoscale Device Modeling
4:00	ICCN: Nanoscale Modeling
6:00	Poster Session 1 and Nanotech Exhibit Reception hosted by Advance Nanotech, booth #903
	Computational Biosciences
	Nanoscale Modeling
	Tuesday May 9
8:30	Keynote - Soft Nanotechnology: Characterization
10:30	MSM: Numerics and Methods
1:30	Fluidics: Micro & Nano Flow Modeling & Fundamentals: Sponsored by Kodak
4:00	Poster Session 2 and Nanotech Exhibit Reception hosted by Feinstein Kean Healthcare, booth #716
	Numerical and Computational Methods
	Nanoscale Device Modeling
	Wednesday May 10
8:30	Keynote - Nanotech Materials and Chemistry: NanoFab: Nano Electronics
10:30	Soft Nanotech: Modeling Soft Nanostructured Materials
6:00	Poster Session 3 and Reception
	Thursday May 11

Symposium Program
	Monday May 8
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10:30	ICCN: Nanoscale Modeling	Room 209
	Session chair: Nick Quirke, Imperial College, UK
10:30	Interaction of Fluids with Nanomaterials: Insights from molecular simulation N. Quirke, Imperial College, UK (speaker biography)
10:50	Atomic Scale Understanding of Intermixing Behavior of Thin Metal Multilayer S.-P. Kim, J.Y. Park, S.-C. Lee, K.-R. Lee, Y.-J. Chung, C.N. Whang, Korea Institute of Science and Technology, KR
11:10	Realistic molecular models of porous carbons obtained from Reverse Monte Carlo simulations S.K. Jain, K.E. Gubbins and R.J-M. Pellenq, Centre de Recherche en Matière Condensée et Nanosciences, CNRS, FR
11:30	Investigation of Different Heating Regimes of Laser-Assisted Cleaning using Molecular Dynamics Simulation B. Unlusu, E. Varo, M.Y. Hussaini and L.D. Gelb, Florida State University, US
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1:30	ICCN: Nanoscale Device Modeling	Room 201
	Session chair: Nick Quirke, Imperial College, UK
1:30	Technique for Time and Frequency Dependent Solutions of the Diffusion Equation: Application to temperature of nanoscale devices L. Forbes, W. Wanalertlak and M.Y. Louie, Oregon State University, US
1:50	Study of the RF Characteristics features of Optimized SOI - MESFETs K. Tarik, D. Vasileska and T.J. Thornton, Arizona State University, US
2:10	New One-Particle Monte Carlo Method for Nanoscale Device Simulation S.C. Brugger and A. Schenk, Swiss Federal Institut of Technology, CH
2:30	Phonon Scattering in Doped Silicon by Molecular Dynamics Simulation M. Yao, T. Watanabe, S.R. Phillpot, P.K. Schelling, P. Keblinski and D.G. Cahill, University of Florida, US
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4:00	ICCN: Nanoscale Modeling	Room 201
	Session chair: Nick Quirke, Imperial College, UK
4:00	Modeling of multi-scale processes during plasma-assisted growth of carbon nanotubes A.V. Vasenkov and V.I. Kolobov, CFD Research Corporation, US
4:20	Molecular Simulation of Dendritic Systems R.J. Sadus, Swinburne University of Technology, AU
4:40	Finite Temperature Quasicontinuum Method for Thermal and Mechanical Analysis of Silicon Nanostructures Z. Tang, H. Zhao, G. Li and N.R. Aluru, University of Illinois at Urbana-Champaign, US
5:00	Structural Optimization of Nanoclusters with Adaptive Tempering Monte Carlo Method X. Dong and E. Blaisten-Barojas, George Mason University, US
5:20	ONETEP: Linear-Scaling Density-Functional Theory with Plane-Waves A.A. Mostofi, P.D. Haynes, C.-K. Skylaris and M.C. Payne, Massachusetts Institute of Technology, US
5:40	Molecular Simulations of Phase Transformations in Nanoscale Systems A.V. Neimark, TRI/Princeton, US
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6:00	Poster Session 1 and Nanotech Exhibit Reception hosted by Advance Nanotech, booth #903	Expo Hall
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	Computational Biosciences	Expo Hall
-	Molecular Dynamics of Signal Peptides of NS2-protein of Hepatitis C Virus I. Orshanskiy, Moscow State University, RU
-	Predicitive Iterative Clustering M. Sultan and I. Jurisica, University of Toronto, CA
-	A Simple Surface Representation Scheme for Rigid Body Docking V.K. Tripathi, B. Dasgupta, K. Deb and H.K. Voruganti, Indian Institute of Technology, IN
-	Fast Density-Functional-Theory Calculation With Q-Chem Program J. Kong, S.T. Brown, L. Fusti-Monlar and Y. Shao, Q-Chem Inc., US
-	Investigation of the ssDNA Backbone Molecule Mechanical Behavior Using Atomistic-Continuum Mechanics Method C-N Han, C-Y Chou, C-J Wu and K-N Chiang, Advanced Microsystem Packaging and Nano-Mechanics Research Laboratory, National Tsing Hua University, TW
-	Aromaticity of Carbon Nanotubes I. Lukovits, Chemical Research Center of the Hungarian Academy of Sciences, HU
-	Entropy-Enhanced Genome Analysis in Frequency Domain S.E. Lyshevski, Rochester Institute of Technology, US
-	DNA Translocation through a Nanopore S. Qamar, B. Ashcroft, Q. Spadola, P. Williams, P. Zhang and S. Lindsay, Arizona State University, US
-	The Information Encoding through Emergent Characteristics of a Calcium Signaling Cascade in Non-excitable cells N. Aslam, K. Gallivan and M.Y. Hussaini, Florida state university, US
-	Emergent Signaling Characteristics of Calcium in Sympathetic Neurons N. Aslam, K. Gallivan and M.Y. Hussaini, Florida state university, US
-	Modelling the Microscopic Mechanisms of Sonoporation J.M. Burns, P.A. Prentice, A. Cuschieri and P.A. Campbell, University of Dundee, UK
-	In Silico Modification of Thermostable Lipase From Geobacillus sp. Strain T1 M.B.A. Rahman, C.K. Khan, M. Basri, A.B. Salleh and R.N.Z.A. Rahman, Universiti Putra Malaysia, MY
-	Symmetry Dynamics in Leadership and Management Js. Gilberto Concepcion G., Universidad Nacional Pedro Henriquez Ureña, JGC & Associates, DO
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	Nanoscale Modeling	Expo Hall
-	DNA-based Killer Automaton: The Innovative Nanomedicine S. Liu and J.-L. Gaudiot, University of California Irvine, US
-	DPD Simulation of Conformation and Behaviour of End-Grafted Diblock Copolymer under Compression and Shear M. Sirchabesan and S. Giasson, Université de Montréa, CA
-	Grid-based Thomas-Fermi-Amaldi equation with the molecular cusp condition M.S. Kim, J.K. Kang and S-K Youn, KAIST, KR
-	Cluster nature and packing effects on the solvation features of single-wall carbon nanotubes F. Torrens and G. Castellano, Universitat de Valencia, ES
-	Modeling of Light Reflection from Nanodimensional Anisotropic Multilayer Films on Isotropic Substrate P. Adamson, University of Tartu, EE
-	A Generalized Cell-Listing Reduction for Molecular Dynamics Simulation F.B. Hsiao and D.B. Wang, National Cheng Kung University, TW
-	Multiscale Modelling and Simulation of Nanoparticle-reinforced Damping Materials M. Kireitseu, L.V. Bochkareva, H. Altenbach and G. Tomlinson, UIIP National Academy of Sciences of Belarus, BY
-	Multi-scale Discrete Dislocation Plasticity Analysis: Application to Nano-indentation S.M.A. Khan and L.E. Levine, National Institute of Standards and Technology, US
-	Mechanical and Thermodynamic Properties of Nanoscale Materials Studied by ab initio TBMD and Statistical Moment Method K. Masuda-Jindo, V.V. Hung and M. Menon, Tokyo Institute of Technology, JP
-	Analysis of Self-Assembly Monolayer Molecules on Micro-Cantilever using Molecular Dynamics Simulation Y.T. Wang, Y.C. Shih and H.C. Kan, National Center for High-performance Computing, TW
-	Model of a Liquid Nanofilm on a Solid Substrate I. Akhatov and S. Gavrilyuk, North Dakota State University, US
-	Nana-scale Level Numerical Analysis of the Effect of Diffusion on Cavity Growth of Advanced Materials F.W. Brust, Battelle Memorial Institute, US
-	Computations on Ba@C74 and Yb@C74 Z. Slanina, F. Uhlik and S. Nagase, Institute for Molecular Science, JP
-	Mechanism of Thermal Transport in Nanofluids J. Eapen and S. Yip, MIT, US
-	Molecular Simulation Studies on Adsorption of Mercuric Chloride R.R. Kotdawala, N. Kazantzis and R.W. Thompson, Worcester Polytechnic Institute, US
-	Molecular Dynamics Simulations of PNA Nano-Probes Selectively Binding DNA A. Pugliese and C.A. Laughton, university of nottingham, UK
	Tuesday May 9
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8:30	Keynote - Soft Nanotechnology: Characterization	Room 210
	Session chair: Fiona Case, Case Scientific, US
8:30	Colloidal Delivery Systems for Functional Food Design (invited) K. Velikov, Unilever R&D, UK (speaker biography)
9:15	Characterization of Nanostructured Materials (invited) S.K. Sinha, University of San Diego, US (speaker biography)
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10:30	MSM: Numerics and Methods	Room 106
	Session chair: Cy Wilson, NASA Langley Research Center, US
10:30	Influence of the Casimir force on the static and dynamic behavior of electrostatically driven micromechanical resonators S. Stoffels, L.J. Fernández, R. Puers and H.A.C. Tilmans, IMEC, BE
10:50	Wall Functions for Incorporation of Atomistic Physics into Continuum Modeling of Electrokinetic Flow R.H. Nilson and S.K. Griffiths, Sandia National Laboratories, US
11:10	Parametric Simulation of MEMS Based on Automatic Differentiation of Finite Element Codes V.A. Kolchuzhin, J.E. Mehner, T. Gessner and W. Doetzel, Chemnitz University of Technology, DE
11:30	A Nyström-Like Approach to Integral Equations with Singular Kernels S.-H. Kuo and J.K. White, Massachusetts Institute of Technology, US
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1:30	Fluidics: Micro & Nano Flow Modeling & Fundamentals: Sponsored by Kodak	Room 104
	Session chair: James Gleeson, University College Cork, UK
1:30	Simulation of Electrokinetic Flow and Analyte Transport in Nano Channels J.J. Feng, S. Krishnamoorthy, G.W. Wang and S. Sundaram, CFD Research Corporation, US
1:50	Infinitely fast reactions in micromixers J.P. Gleeson, University College Cork, Ireland, IE
2:10	Electric Field Driven Motion of Flexible Polyelectrolytes – A Molecular Dynamics Study T.S. Lo, B. Khusid, A. Acrivos and J. Koplik, New Jersey Institute of Technology, US
2:30	Macromodeling for Microfluidic Channels C-W Kuo, C-M Chein and Y-J Yang, National Taiwan University, TW
2:50	Capillary filling speed in silicon dioxide nano-channels S.E. Jarlgaard, M.B.L. Mikkelsen, P. Skafte-Pedersen, H. Bruus and A. Kristensen, Technical University of Denmark, DK
3:10	Magnetohydrodynamic (MHD) Complex Flow Generation in Microchannel D.S. Kim and T.H. Kwon, Pohang University of Science and Technology (POSTECH), KR
3:30	Analysis of the Droplet Ejection for Piezoelectric-driven Industrial Inkjet Head S. Sim, S-J Park, C. Park, Y. Yoo, Y. Kim, J. Joung and Y. Oh, Samsung Electro Mechanics Co., KR
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4:00	Poster Session 2 and Nanotech Exhibit Reception hosted by Feinstein Kean Healthcare, booth #716	Expo Hall
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	Numerical and Computational Methods	Expo Hall
-	Systematic Approach on Modeling and Identification for Nanobattery Prototyping P. Bhattacharya, Z. Ye, E. Walker, F. Lacy and M. Banerjee, Southern University, US
-	Analytical Models for Quantized Sub-Band Energy Levels and Inversion Charge Centroid of MOS Structures Derived from Asymptotic and WKB Approximations H. Abebe, E. Cumberbatch, H. Morris and V. Tyree, USC/ISI, US
-	Stability of micro and nano devices actuated by Casimir forces J. Hernández and R. Esquivel-Sirvent, Instituto de Fisica, UNAM, MX
-	A Generic Scientific Simulation Environment for Multidimensional Simulation in the Area of TCAD R. Heinzl, M. Spevak, P. Schwaha and T. Grasser, Institute for Microelectronics, AT
-	Numerical Capacitance Calculation for Mems Pressure Sensor by Method of Moments P. Li and R.J. Weber, IOWA STATE UNIVERSITY, US
-	Adaptive temperature estimation in 3D single-cell dielectrophoretic traps using the boundary Element Method C. Rosales, Institute of High Performance Computing, ASTAR, SG*
-	Correlation of Experimental and Numerical Results on Electrostatically Actuated Micro-Beams V. Rochus, D.J. Rixen and J.-C. Golinval, university of Liège, BE
-	Optimization of Piezoelectric Transformers Using Elite Genetic Algorithm C-Y. Kang, C-K Lee and Y-J Yang, National Taiwan University, TW
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	Nanoscale Device Modeling	Expo Hall
-	Modeling microdrop motion between covered and open regions of EWOD microsystems J. Berthier, Ph. Clementz, J-M Roux, Y. Fouillet and C. Peponnet, CEA/LETI, FR
-	Minimized atomistic model (MAM) of BmIn cluster and the effect of Ge pre-amorphization implant (Ge-PAI) on boron diffusion J-H Yoo, C-O Hwang, K-S Yoon, J-S Kim and T. Won, School of Engineering, National IT Research Center for Computational Electronics, Inha University, KR
-	Virtual Reality approach for nanoparticles tracking using simulated forces P.G. Ikonomov and M.K. Ghantasala, Western Michigan University, US
-	Impacts of High-k Offset Spacer on 65-nm Node SOI Devices M-W Ma, T-S Chao, K-S Kao, J-S Huang and T-F Lei, National Chiao Tung University, TW
-	Solving Electric Field in Combined Conductor and Dielectric Devices Z.J. Chen, A. Przekwas, M. Athavale and N. Zhou, CFD Research Coorporation, US
-	FEA Simulation of Thin Film Coils to Power Wireless Neural Interfaces S. Kim, O. Scholz, K. Zoschke, R. Harrison, F. Solzbacher, M. Klein and M. Toepper, Fraunhofer Institute for Biomedical Engineering, DE
-	A New Grounded Lamination Gate (GLG) SOI MOSFET for Diminished Fringe Capacitance Effects M.J. Kumar, V. Venkataraman and S.K. Gupta, Indian Institute of Technology, IN
-	Efficient Generation of Reduced-Order Circuit and Device Models for Wide Frequency Applications S. Mijalkovic and H.C. Wu, Delft University of Technology, NL
-	VHDL Simulation considering Single Event Upsets (SEUs) M. Grecki, Technical University of Lodz, PL
-	A Physically Based Quantum Correction Model for DG MOSFETs M. Karner, M. Wagner, T. Grasser and H. Kosina, TU Wien, AT
-	Determination of Frequency Dependent Fluid Damping of Micro and Nano Resonators for Different Cross-sections W. Zhang, M. Requa and K. Turner, University of California at Santa Barbara, US
-	A molecular communication system using a network of cytoskeletal filaments. A. Enomoto, M. Moore, T. Nakano, R. Egashira, T. Suda, A. Kayasuga, H. Kojima, H. Sakibara and K. Oiwa, University of California, Irvine, US
-	Designing Laser Pulses to Control Molecular Motion Q. Ren, G.G. Balint-kurti, F.R. Manby, M. Artamonov, T-S. Ho and H. Rabitz, University of Bristol, UK
	Wednesday May 10
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8:30	Keynote - Nanotech Materials and Chemistry: NanoFab: Nano Electronics	Room 210
	Session chair: Leo Ocola, Argonne National Lab, US
8:30	Integrating soft and hard materials in nanoscale based devices (invited) N. Petersen, NRC-CNRC, CA (speaker biography)
9:15	Nanotechnology and Energy, the Smalley Vision: Be a Scientist-- Save the World (invited) W. Adams, Amy Jaffe and Richard Smalley(deceased), Smalley Institute, Rice University, US (speaker biography)
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10:30	Soft Nanotech: Modeling Soft Nanostructured Materials	Room 201
	Session chair: Fiona Case, Case Scientific, US
10:30	Modeling Soft Nanostructured Materials (invited) H. Fraaije, Leiden University, NL (speaker biography)
11:00	Nanostructure and Property Modeling using Atomistic, Mesoscale and Finite Element Techniques (invited) G. Goldbeck-Wood, Accelrys, UK (speaker biography)
11:30	Lattice Boltzmann simulation of emulsification in microfluidics devices R.G.M. van der Sman and S. van der Graaf, Wageningen University, NL
11:50	Multiscale Modeling of Polymer Based Nanomaterials J.S. Smith, D. Bedrov, O. Borodin and G.D. Smith, University of Utah, US
12:10	Pattern formation and non-linear stability analysis of two-component nano-self-assembled epilayers on a substrate G. Nathan, G. Gunaratne and F. Hussain, University of Houston, US
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6:00	Poster Session 3 and Reception	Hall D

Joint Sessions

Computer Modeling and Simulation of Soft Nanostructured Materials

Announcement and Call for Participation

The largest gathering in the field worldwide, ICCN 2006, in collaboration with the Nanotech 2006, is the premier technical forum for presenting the latest research and development in computational methods, tools and applications at the nano scale.

With the continued miniaturization and blending of technologies, advanced computational techniques in the nano and micro regimes are paramount in the advancement of all high technology regardless of its traditional domain. The ICCN provides a forum for the interdisciplinary blending of computational efforts in biology, chemistry, physics and materials, founded on inherently similar modeling approaches but applied towards traditionally distinct disciplines.

Journal Submissions

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Molecular Simulation

Selected Nanotech Proceedings papers will be reviewed and invited into a Special Issue of Molecular Simulation.

For consideration into this Special Issue of Molecular Simulations, please select the "Submit to Molecular Simulation" button during the on-line submission procedure. Please note that you may only select a single journal during the submission process.

Conference Organization

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Technical Program Chairs

Nick Quirke, Imperial College, London, UK
Wolfgang Windl, Ohio State University, USA

ICCN & Nanotechnology Conference Committee

Wolfgang S. Bacsa, Université Paul Sabatier, France
Roberto Car, Princeton University, USA
Franco Cerrina, University of Wisconsin - Madison, USA
Murray S. Daw, Clemson University, USA
Robert S. Eisenberg, Rush Medical Center, Chicago, USA
Toshio Fukuda, Nagoya University, Japan
David K. Ferry, Arizona State University, USA
Sharon Glotzer, University of Michigan, USA
William Goddard, CalTech, USA
Gerhard Goldbeck-Wood, Accelrys, Inc., UK
Niels Gronbech-Jensen, UC Davis and Berkeley Laboratory
Karl Hess, University of Illinois at Urbana-Champaign, USA
Hannes Jonsson, University of Washington, USA
Anantha Krishnan, Lawrence Livermore National Laboratory, USA
Alex Liddle, Lawrence Berkeley National Laboratory, USA
Philip Pincus, University of California at Santa Barbara, USA
Serge Prudhomme, University of Texas at Austin, USA
Philippe Renaud, Swiss Federal Institute of Technology of Lausanne
Robert Rudd, Lawrence Livermore National Laboratory, USA
Clayton Teague, National Institute of Standards and Technology, USA
Dragica Vasilesca, Arizona State University, USA
Arthur Voter, Los Alamos National Laboratory, USA
Phillip R. Westmoreland , University of Massachusetts Amherst, USA
Gloria Yueh, Midwestern University, USA

Topics & Application Areas

Molecular Modeling
Protein Modeling
Structural Biology
Bioinformatics/Computational Genomics
Computational Biology
Computational Drug/Molecular Design
Self-Replicating/Organizing Systems
Combinatorial Chemistry
Polymers and Colloids
Catalysis, Separations and Reactions
Kinetics and Collision Dynamics
Molecular Electronic Structure
Quantum Molecular Dynamics - Theory & Applications
General Computational Chemistry - Theory & Methods
Interfaces and Contacts
Surfaces, Surface Processes and Thin Films
Optical and Vibrational Properties
Alloys and Nanostructures
Tribology
Radiation Effects & Impact Phenomena
Glasses & Ceramics
Materials at High Pressure & Temperature
Large-Scale Simulations
Multiscale Modeling of Materials
General Theory & Methods
Nanoscale Device Modeling
Nanoscale Process Modeling
Nanoscale Electronic Material Modeling
Other

In Association with

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	2006 NSTI Nanotechnology Conference and Trade Show Nanotech 2006
	2006 NSTI Bio Nano Conference and Trade Show BioNano 2006
	Eighth International Conference on Modeling and Simulation of Microsystems MSM 2006
	2006 Workshop on Compact Modeling WCM 2006

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