Publications

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Year:

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"Energetics of charged point defects in rutile TiO2 by density functional theory"
X. Li and M.W. Finnis and J. He and R.K. Behera and S.R. Phillpot and S.B. Sinnott and E.C. Dickey, September 2009
doi:10.1016/j.actamat.2009.08.014

"Nanometric ionic-liquid films on silica: a joint experimental and computational study"
S Bovio and A Podestà and P Milani and P Ballone and M G Del Pópolo, October 2009
doi:10.1088/0953-8984/21/42/424118

"Ring currents in azulene"
A.T. Paxton and T.N. Todorov and A.M. Elena, October 2009
doi:10.1016/j.cplett.2009.10.041

"Atomistic studies of interactions between the dominant lattice dislocations and γ/γ-lamellar boundaries in lamellar γ-TiAl"
I.H. Katzarov and A.T. Paxton, May 2009
doi:10.1016/j.actamat.2009.03.042

"On thin ice: surface order and disorder during pre-melting"
Bishop,C.L. and Pan,G. and Liu,L.M. and Tribello,G. and . Michaelides,A. and Wang,E. and Slater,B., 2008

"Surface Energy and surface proton order of ice Ih"
Pan,D. and Liu,L.-M. and Tribello,G. and Slater,B. and Michaelides,A. and E. Wang,E., 2008

"Comment on “Huge Excitonic Effects in Layered Hexagonal Boron Nitride”"
Wirtz,L. and Marini,A. and Gruening,M. and Attaccalite,C. and Kresse,G. and Rubio,A. and, 2008

"First-principles molecular dynamics simulations of the interaction of ionic projectiles with liquid water and ice"
Kohanoff,J. and Artacho,E., June 2008

"Correlated electron-ion dynamics in metallic systems"
A.P. Horsfield and M. Finnis and M. Foulkes and J. LePage and D. Mason and C. Race and A.P. Sutton and D.R. Bowler and A.J. Fisher and R. Miranda and L. Stella and A.M. Stoneham and D. Dundas and E. McEniry and T.N. Todorov and C.G. Sánchez, March 2008
doi:10.1016/j.commatsci.2008.01.055

"Boron in copper: A perfect misfit in the bulk and cohesion enhancer at a grain boundary"
A. Y. Lozovoi and A. T. Paxton, April 2008
doi:10.1103/physrevb.77.165413

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