2008 NSTI Nanotechnology Conference and Trade Show - Nanotech 2008 - 11th Annual
Technical Conferences
Merck Corporate Needs
NanoInk Symposium
Nano Electronics & Photonics
Nano Fabrication
Sensors & Systems
Micro & Nano Fluidics
MSM - Modeling Microsystems
WCM - Compact Modeling
Nanostructured Materials & Devices
Soft Nanotechnologies & Applications
Nanoparticles in Soft Materials - Colloidal Systems
Polymer Nanotechnology
Carbon Nano Structures & Devices
Nano Particles & Applications
Nanostructured Surfaces and Interfaces
Nanoscale Characterization
Energy Technologies & Applications
Nanotech in Health, Environment & Society
ICCN - Nanoscale Modeling
Bio Nano Materials & Tissues
Bio Sensors & Diagnostics
Biomarkers & Nanoparticles
Cancer Diagnostics, Imaging & Treatment
Drug Delivery & Therapeutics
Nano Medicine
Nanotech to Neurology
Phage Nanobiotechnology
Clean Technology 2008
Industrial Impact Workshop
Confirmed Speakers
Program Committee

Partnering Events:

TechConnect Summit
Clean Technology 2008

7th International Conference on

Computational Nanoscience and Nanotechnology

ICCN 2008

June 1 - 5, 2008
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 Nick Quirke
Vice President UCD, Chair of Chemistry
Imperial College London, UK
Wolfgang Windl Wolfgang Windl
Associate Professor,
Ohio State University

Confimed Invited Speakers

Hans Fraaije Hans Fraaije
Chief Science Officer
Culgi BV, The Netherlands
Massimo Noro Massimo Noro
Unilever R&D Port Sunlight, United Kingdom

Symposium Sessions


Monday June 2


Tuesday June 3

 ICCN - Nanoscale Modeling

Wednesday June 4

10:30 ICCN - BioNano Simulation and Modeling
4:00 NanoFab: ICCN: Nanoscale Device Modeling

Thursday June 5

8:30 ICCN - Simulating Nanoscale Phenomena at Surfaces
1:30 ICCN - Simulation of Soft Nanotechnology Systems

Symposium Program


Tuesday June 3

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ICCN - Nanoscale ModelingExhibit Hall C
- Solvent Effects in Adsorption of Capping Molecules to Nanocrystals
R. Pool, P. Schapotschnikow, T.J.H. Vlugt, Delft University of Technology, NL
- DNA Mechanical Properties: Formulation and comparison with experiments
H. Dalir, T. Nisisako, Y. Yanagida, T. Hatsuzawa, Tokyo Institute of Technology, JP
- Computations on (Li)x@C60
Z. Slanina, S. Nagase, Institute for Molecular Science, JP
- Theoretical study on the functionalization of BN-doped Carbon Nanotubes with N-nucleophiles
N. Krainara, S. Nokbin, P. Khongpracha, P. Pantu, S. Namuangruk, J. Limtrakul, Kasetsart University, TH
- Molecular Simulation of the Nanoscale Water Confined between an Atomic Force Microscope Tip and a Surface
H.J. Choi, J.Y. Kim, S.D. Hong, M.Y. Ha and J. Jang, Pusan National University, KR
- Monte Carlo simulations of 1keV to 100keV electron trajectories from vacuum through solids into air and resulting current density and energy profiles
A. Hieke, GEMIO Technologies, Inc., US
- Von Neumann Entropies Analysis of Nanostructures: PAMAM Dendrimers of Growing Generation
R.O. Esquivel, N. Flores-Gallegos, E. Carrera, Universidad Autonoma Metropoiltana, MX
- Probabilistic Models for Damage and Self-repair in DNA Self-Assembly
U. Majumder, Duke University, US
- Theoretical Investigation CrO2 as a Spin-Polarized Material
J.D. Swaim, G. Mallia, N.M. Harrison, Imperial College London, UK
- Molecular dynamic simulations of the poly(dimethylsiloxane) (PDMS)/water system
M. Groombridge, M. Schneemilch, N. Quirke, Imperial College, UK
- The Research of the Influence of Point Defects on Structural Reconstruction near Grain Boundaries of Tilt in Ni3Al Alloy
M.D. Starostenkov, G.M. Poletaev, R.Yu. Rakitin, Altay State Technical University, RU
- A Theoretical Study on Chemical Reaction of Water Molecules under Laser Irradiation: Ultra Accelerated Quantum Chemical Molecular Dynamics Approach
A. Endou, A. Nomura, Y. Sasaki, K. Chiba, H. Hata, K. Okushi, A. Suzuki, M. Koyama, H. Tsuboi, N. Hatakeyama, H. Takaba, M. Kubo, C.A. Del Carpio, M. Kitada, H. Kabashima, A. Miyamoto, Tohoku University, JP
- Density Gradient Quantum Surface Potential
H. Morris, E. Cumberbatch, D. Yong, H. Abebe, V. Tyree, Claremont Graduate University, US
- Fast Adaptive Computation of Neighbouring Atoms
S. Redon, INRIA, FR
- Control of NEMS Based on Carbon Nanotube
O.V. Ershova, A.A. Knizhnik, I.V. Lebedeva, Yu.E. Lozovik, A.M. Popov, B.V. Potapkin, Kintech Lab Ltd, RU
- Field Emission Properties of Carbon Nanotube Arrays with Defects and Impurities
D. Roy Mahapatra, N. Sinha, R. Melnik, J.T.W. Yeow, University of Waterloo, CA
- Atomic Scale Modeling of Electron Transport in MRAM
D.L. Novikov, Atomistix, Inc., US
- Structural changes in carrier protein consequent upon hapten conjugation: Analysis from a Spectroscopic and Molecular modelling perspective
K.V. Singh, P. Khanna, B. Singh, C.R. Suri, M.L. Garg, Panjab University, Chandigarh, IN
- The Concatenation of the Concurrent Self-replication and Self-organization Processes
S. Wegrzyn, L. Znamirowski, Silesian University of Technology, PL
- New Finite Element Method Modeling for contractile Forces of Cardiomyocytes on Hybrid Biopolymer Microcantilevers
K. Na, J. Kim, S. Yang, Y.M. Yoon, E-S Yoon, Korea Institute of Science and Technology, KR

Wednesday June 4

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10:30 ICCN - BioNano Simulation and ModelingRoom 205
 Session chair: Wolfgang Windl, Ohio State University, US
10:30 Towards rational de novo design of peptides for inorganic interfaces
M.J. Biggs, University of Edinburgh, UK
10:50 Molecular dynamic simulations of bio-nanocomplexes involfing LDH nanoparticles and short-strand DNA/RNA
P. Tran, Y. Wong, G.Q. Lu, S.C. Smith, University of Queensland, AU
11:10 Quantitative Analysis of HBV Capsid Protein Geometry Based Upon Computational Nanotechnology
H.C. Soundararajan, M. Sivanandam, Sri Venkateswara College of Engineering, IN
11:30 Assembly of Nanoscale Scaffolds from Peptide Nucleic Acids (PNA)
T. Husk Jr., D.E. Bergstrom, Purdue University, US
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4:00 NanoFab: ICCN: Nanoscale Device ModelingRoom 204
 Session chair: Warren Y.C. Lai, Alcatel Lucent Bell Laboratories, US
4:00 A Semiclassical Study of Carrier Transport combined with Atomistic Calculation of Subbands in Carbon Nanoribbon Transistors
D. Rondoni, J. Hoekstra, M. Lenzi, R. Grassi, Technical University of Delft, NL
4:20 Comprehensive Examination of Threshold Voltage Fluctuations in Nanoscale Planar MOSFET and Bulk FinFET Devices
C-H Hwang, H-W Cheng, T-C Yeh, T-Y Li, H-M Huang, Y. Li, National Chiao Tung University, TW
4:40 Contact Structure Formation in Carbon Nanotube Electronic Devices and Its Effect on Electron Transport
W. Luo, K. Ravichandran, W. Windl, L.R.C. Fonseca, The Ohio State University, US
5:00 Molecular Dynamics Simulation of Bulk Silicon under Strain
H. Zhao, N.R. Aluru, University of Illinois at Urbana-Champaign, US

Thursday June 5

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8:30 ICCN - Simulating Nanoscale Phenomena at SurfacesRoom 313
 Session chair: Tinh Nguyen, NIST, US
8:30 The Interaction of Fluids and Bio-membranes with Polymeric and Carbon Nanomaterials
N. Quirke, Univeristy College Dublin, Imperial College London, IE
8:50 Unravelling the interaction of ammonia with carbon nanotubes
C. Oliva, P. Strodel, G. Goldbeck-Wood, A. Maiti, Accelrys, UK
9:10 Computational Modeling of Ligands for Water Purification Nanocoatings
K. Vanka, Y. Houndonougbo, N.R. Lien, J.M. Harris, L.M. Farmen, D.W. Johnson, B.B. Laird, W.H. Thompson, University of Kansas, US
9:30 Numerical Simulation of Polymer Phase Separation on a Patterned Substrate with Nano Features
Y. Shang, M. Wei, D. Kazmer, J. Mead, C. Barry, University of Massachusetts, Lowell, US
9:50 The effect of surface stress on nano-structures
W.G. Wolfer, Lawrence Livermore National Laboratory, US
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1:30 ICCN - Simulation of Soft Nanotechnology SystemsRoom 313
 Session chair: Fiona Case, NSTI, USA
1:30 Overview on hybrid particle-field methods with industrial applications focus
H. Fraajie, University of Leiden, NL
2:00 A Hybrid Particle-Field Simulation Method for Polymer-Nanoparticle Composites
D. Duechs, G.H. Fredrickson, University of California Santa Barbara, US
2:20 A Library for Multiscale Modeling in Soft Nanotechnology
K.A. Smith, J.G.E.M. Fraaije, Culgi Inc., US
2:40 Interactions between Capped Nanocrystals in Vacuum and Solution
P. Schapotschnikow, R. Pool, T.J.H. Vlugt, Delft University of Technology, NL
3:00 Direct Numerical Simulation of Carbon Nanofibre Composites:
M. Yamanoi, J.M. Maia, University of Minho, PT
3:20 Flow of concentrated, nanoparticle suspensions: Multiscale modeling for Manufacturing Process Design
P.R. Schunk, J.B. Lechman, Sandia National Laboratories, US

Joint Sessions

Announcement and Call for Participation

The largest gathering in the field worldwide, ICCN 2008, in collaboration with the Nanotech 2008, 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

Molecular Simulation

Molecular Simulation

Selected Nanotech Proceedings papers will be reviewed and invited into a Special Issue of Molecular Simulation. The journal covers all aspects of research related to, or of importance to, molecular modelling and simulation (including informatics, theoretical and experimental work).

For consideration into this Special Issue of Molecular Simulations, please select the “Submit to Molecular Simulation” button during the on-line submission procedure. You may only select a single journal during the submission process.

Topics & Application Areas

Online abstract submissions are now being accepted. Proposed topics include, but are not be limited to:

  • 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
  • Mesoscale modeling of soft nanostructured materials
  • Other

Conference Organization


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