The aim of the workshop consists in bringing together knowledge and experiences gained by leading scientists active in the field of modeling of the structural, electronic, energetic and reactive properties of carbon and inorganic nanotubes and nanostructures.

 

The workshop focuses on computational approaches for modeling of carbon and inorganic nanostructures and their properties, with particular emphasis to tubular nanostructures and their functionalization processes.

 

Topics to be covered within the workshop include:

• Electronic structure methods in the simulation of the electronic, optical and magnetic properties and functionalization of low-dimensional nanostructures;
  
• Theoretical investigations on the basic properties of functionalized nanotubes and nanostructures;
  
• Modeling of functionalized nanotubes and nanostructures for technological applications (gas sensing, energy storage, electron transport, etc.);
  
• Simulation of nanotubes and nanostructures in realistic environments (e.g. solution, solid state, etc.);
  
• Development of new materials with interesting properties and prediction of new structures;
  
• Modeling of hybrid carbon/inorganic tubular nanostructures;
  
• Advances in modelization and computational techniques for nanotubes and related structures;
  
• High-performance computing and grid-computing techniques applied to the study of nanotubes and low-dimensional nanostructures.

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Invited Speakers

• Maya Bar-Sadan (Weizmann Institute of Science, Israel)
  
• Vladimir Basiuk (Universidad Nacional Autónoma de México)
  
• Holger F. Bettinger (University of Tuebingen, Germany)
  
• Marco Buongiorno Nardelli (North Carolina State University, USA)
  
• Jean-Christophe Charlier (Université catholique de Louvain, Belgium)
  
• Vincent Crespi (Penn State University, USA)
  
• Andreia da Rosa (University of Bremen, Germany)
  
• George Froudakis (University of Crete, Greece)
  
• Jennifer Green (University of Oxford, UK)
  
• Arkady Krasheninnikov (University of Helsinki, Finland)
  
• Mikko Linnolahti (University of Joensuu, Finland)
  
• Santiago Melchor (University of Granada, Spain)
  
• Yoshiyuki Miyamoto (NEC Corporation, Japan)
  
• Risto Nieminen (Helsinki University of Technology, Finland)
  
• Pablo Ordejon (Institut de Ciencia de Materials de Barcelona, Spain)
  
• Gustavo Scuseria (Rice University, USA)
  
• Daniel Sebastiani (Max-Planck-Institut Mainz, Germany)
  
• David Tomanek (Michigan State University, USA)
  
• Mark Wilson (Unversity of Oxford, UK)
  

 

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Organizers

Francesco Mercuri

Institute of Molecular Sciences and Technologies (ISTM) - CNR

Department of Chemistry, University of Perugia, Italy

 

Gotthard Seifert

Institute of Physical Chemistry

Department of Chemistry, Technical University Dresden, Germany

 

Related Workshop:

Workshop on Computational Studies of Defects in Nanoscale Carbon Materials. Lausanne, Switzerland, May 11-13, 2009 (immediately preceding CINN09).