Computational Challenges and Tools for nanotubes

FINAL CCTN08 programme Schedule (.pdf)

Welcome to the home page of the CCTN08 symposium, which will place in Montpellier, France, on June 28, 2008.

Symposium Organizers:

• Stephan Roche (Commissariat à l’Energie Atomique DRFMC, France)
• Jean-Christophe Charlier (University of Louvain, Louvain la Neuve, Belgium)
• Hisashi Nakamura (Research Org. for Inform. Sci. & Technology - RIST, Japan)
• David Tomanek (Michigan State University - MSU, USA)

Scope:

This satellite workshop of the conference will focus on the theoretical investigation and quantitative assessment of unique physical properties of nanotube systems and devices, using advanced computational approaches. The program will highlight the computational challenges in modelling carbon-based materials (nanotubes, graphene) and devices, including the use of advanced ab initio developments, multiscale approaches and order N schemes.

SPONSORED by GDRI-NanoI and RIST :

Final programme CCTN08:

Invited Speakers  

N. Marzari – MIT -USA
	Cycloaddition functionalizations to control or preserve the conductance of carbon nanotubes
L. Henrard – Univeristy of Namur – Belgium
	Few Layer Graphite and interacting carbon nanotubes : electronic and vibrational properties
C. Giorgetti – Ecole Polytechnique Paris -France
	AB INITIO Calculations of Electronic Excitations in Carbon nanotubes and Graphene Layers Systems
A. Rubio –  Universidad Pais Vasco San Sebastian - Spain
	Optical Properties of BN nanostructures:  role of Defects anddimensionality effects
Ph. Dollfus – Institut d’Electronique Fondamental, Paris - France
	Particle Monte Carlo approach to semi-classical and quantum transport in CNTFET within a multiscale simulation framework from atoms to circuit
Y. Miyamoto – NEC - Japan
	Modulation of optical field inside nanotubes with the perpendicular polarization
G. Seifert – TU-Dresden - Germany
	Mechanical Properties of Nanotubes
F. Varchon – Institut Néel-CNRs - France
	Electronic Structure of Epitaxial Graphene

 

Contributed talks

Yu. F. Zhukovskii – University of Latvia, Riga -Latvia
	Modeling of electronic properties of CNT bundles and interconnects
S. Bellucci – INFN LNF Frascati – Italy
	Electronic transport  in carbon nanotubes: Luttinger Liquids and correlated superconductivity
M. Roy – University of Leicester – United Kingdom
	Semiconducting carbon nanotube quantum dots: calculation of the interacting electron states by exact diagonalisation
J. Cannon – University of Surrey – United Kingdom
	Application of non-equilibrium molecular dynamics to the study of flow through nanotubes

F. Mercuri– University of Perugia – Italy
	Investigations on the electronic and reactive properties of carbon nanotubes through finite-length models based on Clar sextet theory
Y. Dappe – Universidad Autonoma de Madrid – Spain
	Van der Waals energy in DFT and intermolecular perturbation theory : application to Carbon Nanotubes, Fullerene and Graphene
M. S. Ferreira – Trinity College Dublin – Ireland
	Long range interaction in magnetically-doped carbon nanotubes: static and dynamic approaches
Z. Zanolli– University Louvain La Neuve - Belgium
	Gaz sensors based on defective carbon nanotubes
A. Lopez-Bezanilla – CEA INAC, France
	Electronic transport properties of functionalized carbon nanotubesgrafted with phenyl molecules

A. Ruini – University of Modena and Reggio E. - Italy
	Ab-initio many-body effects on the optoelectronic properties of 1D nanostructures: carbon nanotubes and graphene nanoribbons
S. Dubois – University of Louvain La Neuve - Belgium
	Spin Transport in Graphene Nanoribbons: the crucial effect of point defects
B. Biel – CEA LETI-MINATEC, France
	Electronic transport properties of chemically doped graphene nanoribbons
A. Ayuela –  DIPC San Sebastain - Spain
	Complex Magnetic Behaviour of Substitutional Transition Metal Dopants in Graphenic Systems
P. Sorokin – Russian Academy of Sciences Moscow – Russia
	Electronic wave guides and supperlattices based on graphene modified by 2H adsorbed lines

Posters :

L.G. Bulusheva – Russian Academy of Sciences Novosibirsk -Russia
	Sidewall penetration of lithium ion in nitrogen-doped carbon nanotube
T. Dimitrica– University of Minnesota - USA
	Symmetry-Adapted Tight-Binding Objective Molecular Dynamics for Nanomechanical Modeling
S. Melchor – Departamento de Quimica Organica, University of Granada - Spain
	Geometric Defects in Graphene : from Disclinations to multiple nanotube junctions
G.-D. Lee – Seoul National University - Korea
	Tight-Binding Molecular Dynamics Study for Carbon Nanomaterials
T. Kawai – Nanoelectronics Lab, NEC Corporation – Japan
	Mechanical-Tearing Simulations of Graphene for the validaion of Favorable Atomic Edge Structure
M. Baldoni – University of Perugia – Italy
	Theoretical Investigations on the Formation and Structure of Nanocrystallites by Encapsulation in Carbon Nanotubes and Carbon Nanotube Junctions
V. Nam do – IEF – France
	Green’s function approach to transport of massless carriers in graphene structures
E. Sheka – Friendship University of the Russian Federation- Russia
	Odd-electron carbons and single-determinant unrestricted Hartree-Fock view on the problem
P. Venezuela –Universidade Federal Fluminense - Brazil
	First principles calculations of alanine radicals adsorbed on pristine and functionalized carbon nanotubes