Publications - Publications

Publications by M.V. Fernandez-Serra

"Melting the world's smallest raindrop" M. V. Fernandez-Serra, Physics 2, 67 (2009).
"Zone-center instability of C(5,0) carbon nanotubes inside AlPO$_4$-5 channels" M. V. Fernandez-Serra and Xavier Blase. Phys. Rev. B, 77, 195115 (2008).
"High-pressure stability of Cs6C60" R. Poloni and D. Machon and M. V. Fernandez-Serra and S. Le Floch and S. Pascarelli and G. Montagnac and H. Cardon and A. San-Miguel. Phys. Rev. B, 77, 125413 (2008).
“Preserved Conductance in Covalently Functionalized Silicon Nanowires” X. Blase and M. V. Fernandez-Serra. Phys. Rev. Lett., 100, 046802 (2008).
“Pressure-induced deformation of the C60 fullerene in Rb6C60 and Cs6C60” R. Poloni, M. V. Fernandez-Serra, S. Le Floch, S. De Panfilis, P. Toulemonde, D. Machon, W. Crichton, S. Pascarelli, and A. San-Miguel. Phys. Rev. B, 77, 035429 (2008).
“Conductance, surface traps and passivation in doped silicon nanowires” M.V. Fernandez-Serra, Ch. Adessi, X. Blase. Nanoletters , 6, 2674 (2006).
“Surface segregation and backscattering in doped silicon nanowires” M.V. Fernandez-Serra, Ch. Adessi, X. Blase. Phys. Rev. lett., 96, 166805 (2006).
“Electrons and hydrogen-bond connectivity in liquid water”, M.V Fernandez-Serra and E. Artacho. Phys. Rev. Lett, 96, 016404 (2006).
“Electronic structure of semiconducting nanowires” Y.M. Niquet, A. Lherbier, N.H. Quang, M.V. Fernandez-Serra, X. Blase, Ch. Delerue. Phys. Rev. B, 73, 165319 (2006).
“Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations” L. Heady, M.V Fernandez-Serra ,R. L. Mancera, S. Joyce, A. R. Venkitaraman, E. Artacho, C. K Skylaris, L. C. Ciacchi, and M. C. Payne. J. Med. Chem, 49, 5141 (2006).
“Two exchange-correlation functionals compared for first-principles liquid water”,M.V Fernandez-Serra, G. Ferlat and E. Artacho. Mol. Sim., 31, 361-366 (2005).
“Network equilibration and first principles liquid water”, M.V Fernandez-Serra and E. Artacho. J. Chem. Phys. 121, 11136-11144 (2004).
“Model Hessian for accelerating ab-initio geometry optimizations”, M.V Fernandez-Serra, E. Artacho and J. M. Soler. Phys. Rev. B. Rapid Comm., 67, 100101 (2003).
“Electron density in the peptide bonds of crambin”, M. V. Fernandez-Serra, J. Junquera,C. Jelsch, C. Lecomte and Emilio Artacho, Solid St. Commun., 116, 395-400 (2000).