Main

Fields of interest:

• Liquid and amorphous materials
• Surfaces and interfaces

Recent publications (selected):

T.J. Minehardt, N. Marzari, R. Cooke, E. Pate, P.A. Kollman, R. Car:
A classical and ab initio study of the interaction of the myosin triphosphate binding domain with ATP
Biophys. J., Vol. 82, (2002), pp. 660-675.

J-C.Charlier, X.Blase, A.De Vita, R.Car:
Growth mechanisms for carbon and BN nanotubes
Appl.Phys. A, Vol. 68, (1999), art. 267.

A.De Vita, J-C.Charlier, X.Blase, R.Car:
Electronic structure at carbon nanotube tips
Appl.Phys. A, Vol. 68, (1999), art. 283.

X.Blase, J-C.Charlier, A.De Vita, R.Car:
Boron-mediated growth of long helicity-selected carbon nanotubes
Phys.Rev.Lett., Vol. 83, (1999), art. 5078.

X. Blase, J.-C. Charlier, A. De Vita, R. Car:
Theory of composite BxCyNz nanotube heterojunctions
Appl. Phys. Lett., Vol. 70, (1997), art. 197.

J.-C. Charlier, A. De Vita, X. Blase, R. Car:
Microscopic growth mechanisms for carbon nanotubes
Science, Vol. 275, (1997), art. 646.

D.L. Carroll, P. Redlich, P.M. Ajayan, J.C. Charlier, X. Blase, A. De Vita, R. Car:
Electronic structure and localized states at carbon nanotube tips
Phys. Rev. Lett., Vol. 78, (1997), art. 2811.