Nano Science and Technology Institute
Nanotech 2007 Vol. 1
Nanotech 2007 Vol. 1
Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1

Chapter 6:

Nanoscale Modeling

-Influence of His-195 on the nitrogenase FeMo-cofactor activity
 C. Cavallotti, D. Moscatelli and S. Carrà
 Politecnico di Milano, IT
-Denaturation of hen egg white lysozyme in electromagnetic fields: a molecular dynamics study
 N.J. English and D.A. Mooney
 University College Dublin, IE
-Investigation of dsDNA Molecule Mechanical Behavior using Atomistic Continuum Mechanics Method
 C-N Han, C-Y Chou, C-J Wu and K-N Chiang
 National Tsing Hua University, TW
-Theoretical Studies on the Ozonization at the Capped-end of a Single-walled Carbon Nanotube: The Effect of the Finite Length
 M. Sawangphruk, J. Sirijaraensre, P. Pantu and J. Limtrakul
 Kasetsart University, TH
-Structure and Electronic Properties of “DNA-Gold-Nanotube” Systems: A Quantum Chemical Analysis
 P. Pannopard, J. Sirijaraensre, S. Nokbin, P. Khongpracha and J. Limtrakul
 Kasetsart University, TH
-Molecular Dynamic investigation of the interaction of supported affinity ligands with Monoclonal Antibodies
 L. Zamolo, V. Busini, D. Moiani, D. Moscatelli and C. Cavallotti
 Politecnico di Milano, IT
-Adsorption of glycine and phenylalanine in H-ZSM-5 zeolite: an embedded QM/MM study
 B. Boekfa, J. Sirijaraensre, P. Limtrakul, P. Pantu and J. Limtrakul
 Kasetsart University, TH
-Scanning Tunneling Microscopy Images of Au Adsorbed on GaAs(111)B surface
 H. Yi, P. Kratzer, E. Hilner and A. Mikkelsen
-New Pair Force Evaluation Method for Parallel Molecular Dynamics in Arbitrary Geometries
 G.B. Macpherson and J.M. Reese
 University of Strathclyde, UK
-Electric Filed Modulation on the Geometric and Electronic Structures of Diblock Molecule
 Y. Wi Li, G.P. Yin and J.W. Zhao
 Harbin Institute of Technology, CN
-Nonequilibrium molecular dynamics simulation for size effects on thermal conductivity of silicon nanostructures
 X.J. Liu, Y.W. Yang and J.P. Yang
 Nanyang Technological University, SG
-Deformation of Carbon Nanotube Oscillators Encapsulating Cu Nanowires
 J.H. Lee, J.W. Kang and H.J. Hwang
 Sangmyung University, KR
-Molecular Dynamics Simulations of Nonvolatile Carbon Nanotube Shuttle Memory
 O.K. Kwon, J.H. Lee, J.W. Kang and H.J. Hwang
 Semyung University, KR
-The Innitial Reverse-Bias Injecting P+-N Junction Mode in P+-N-P+- Structures with Punch-Through
 I. Mats
 Diatex, Selected Texno-Fix, CA
-Computational Screening of Metallofullerenes for Nanoscience
 Z. Slanina and S. Nagase
 Institute for Molecular Science, JP
-Efficient DSMC Modeling Techniques for Micro/Nano Gas Flows
 N. Masters and W. Ye
 Georgia Institute of Technology, US
-Investigation of Mechanical Strength of the Nanoshell of Bacteriophage Phi-29
 C-N Han, C-Y Chou and K-N Chiang
 National Tsing Hua University, Taiwan, TW
-Quantum Design of Complex Nanostructured Electronic Materials
 A.J. Williamson
 Lawrence Livermore National Laboratory, US
-Pseudopotential theory of electronic excitations in semiconductor nanostructures
 A. Franceschetti and M.C. Troparevsky
 National Renewable Energy Laboratory, US
-Conduction Properties of BN-doped Fullerene Chain Obtained by Density Functional Calculations
 N. Krainara, P. Luksirikul, J. Sirijaraensre, P. Pantu and J. Limtrakul
 Kasetsart University, TH
-Atomistic Simulation of Cracktip Failure Pathways in Fe and Fe Alloys
 P.A. Gordon, T. Neeraj, Y. Li and M.J. Luton
 ExxonMobil Research & Engineering, US
-Dielectric Response in Silicon Nanostructures from first principles
 S. Hamel, A. Williamson, H. Wilson, F. Gygi, G. Galli, E. Ratner and D. Wack
 Lawrence Livermore National Laboratory, US
-A Temperature-related Homogenization Technique for Nanoscale Continuum Approximation
 S.P. Xiao and W.X. Yang
 The University of Iowa, US
-Mechanics of silicon nanowires: size-dependent elasticity from first principles
 R.E. Rudd and B. Lee
 Lawrence Livermore National Laboratory, US
-Molecular Simulation and Theory for Nanosystems
 R.J. Sadus
 Swinburne University of Technology, AU
-Interaction of DNA with Single-Walled Carbon Nanotubes: Implication to the Bio-Sensors
 K-J Kong, H. Chang and J-O Lee
 Korea Research Institute of Chemical Technology, KR
-A Kinetic Study of the MOCVD of GaN
 D. Moscatelli and C. Cavallotti
 Politecnico di Milano, IT
-A Multiscale investigation of the influence of surface morphology on thin films CVD deposition
 A. Barbato, M. Rondanini and C. Cavallotti
 Politecnico di Milano, IT
-Bridging Domain Multiscale Method
 S.P. Xiao and W.Y. Hou
 The University of Iowa, US
-Atomistic-Continuum Simulations of Carbon Nanotubes in LIquids
 P. Koumoutsakos, E. Kotsalis, J.H. Walther and A. Dupuis
 ETH Zürich, CH
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