Andrea Trave's Papers

• Curriculum Vitae, MSWord file (updated, March 29 2005)
• Energetics and structural characterization of C₆₀ polymerization in BN and carbon nanopeapods
  Physical Review B, 70, 205418 (2004)
  Local copies of abstract and full article (PDF file; see PRL Copyright agreement). You need to be authorized to access the article on the PRB website.
• Preprint, The structure of pressure amorphized quartz from first-principles molecular dynamics: PDF file (291 KB)
• Pressure-induced structural changes in liquid SiO₂ from ab initio simulations
  Physical Review Letters, 89, 245504 (2002)
  Local copies of abstract and full article (PDF file; see PRL Copyright agreement). You need to be authorized to access the article on the PRL website.
• First principles study of the structure and chemistry of Mg-based hydrotalcite-like anionic clays
  Journal of Physical Chemistry B, 106, 12291-96 (2002)
  Local copy of the abstract; the Journal of Physical Chemistry is now offering free access to the full article (PDF format).
• CdS microclusters in sodalite frameworks of different composition: A density functional study
  Journal of Physical Chemistry B, 102, 1522-27 (1998)
  Local copy of the abstract; you need a subscription to the Journal of Physical Chemistry to access the full article.
• Band-gap engineering by III-V infill in sodalite
  Physical Review Letters, 77, 5405-08 (1996)
  Local copies of abstract and full article (PDF file; see PRL Copyright agreement). You need to be authorized to access the article on the PRL website.
• Ph.D. Thesis, University of Geneva, Published Version:
  zipped PostScript (975KB) - PDF file (1.2MB)