Publications

Author:
Year:

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"Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators"
Gruening,M. and Marini,A. and Rubio,A., 2006

"Effect of spatial nonlocality on the density functional band gap"
Gruening,M. and Marini,A. and Rubio,A. and, 2006

"Electronic structure calculations for solids and molecules: theory and computational methods"
Kohanoff,J., June 2006

"Proton ordering energetics in ice phases"
Tribello,G. and Slater,B., 2006

"A blind structure prediction of ice XIV"
Tribello,G. and Slater,B. and Saltzmann,C.G., 2006

"Monte Carlo studies of quantum and classical annealing on a double well"
Lorenzo Stella and Giuseppe E. Santoro and Erio Tosatti, April 2006
doi:10.1103/physrevb.73.144302

"Optimization through quantum annealing: theory and some applications"
D. A. Battaglia and L. Stella, October 2006
doi:10.1080/00107510600861454

"Solvation Structure and Transport of Acidic Protons in Ionic Liquids:  A First-principles Simulation Study"
Mario G. Del Pópolo and Jorge Kohanoff and Ruth M. Lynden-Bell, April 2006
doi:10.1021/jp0602326

"Structural and chemical embrittlement of grain boundaries by impurities: A general theory and first-principles calculations for copper"
A. Y. Lozovoi and A. T. Paxton and M. W. Finnis, October 2006
doi:10.1103/physrevb.74.155416

"Coupling between lattice vibrations and magnetism in Ising-like systems"
Carles Triguero and Marcel Porta and Antoni Planes, February 2006
doi:10.1103/physrevb.73.054401

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