Publications

Author:
Year:

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"Linear Scaling DFT Calculations with Numerical Atomic Orbitals"
Ordejon,P. and Artacho,E. and Cachau,R. and Gale,J. and Garcia,A. and Junquera,J. and Kohanoff,J. and Machado,M. and Sanchez-Portal,D. and Soler,J.M. and Weht,R. and, 2001

"Ab initio approach for electro-chemical application."
Lozovoi,A.Y. and Alavi,A. and Lynden-Bell,R.M., August 2000

"Reply to: "The puzzling stability of monatomic gold wires is the "
Torres,J.A. and Tosatti,E. and Dal Corso,A. and Ercolessi,F. and Kohanoff,J.J. and Di Tolla,F.D. and Soler J.M., 2000

"The puzzling stability of monotaomic gold wires"
Torres,J.A. and Tosatti,E. and Dal Corso,A. and Ercolessi,F. and Kohanoff,J. and di Tolla,F.D. and Soler,J.M. and, 1999

"Simple Molecular Systems at Very High Pressures: computer simulation studies"
Chiarotti,G.L. and Ancilotto,F. and Bernasconi,M. and Bernard,S. and Cavazzoni,C. and Focher,P. and Kohanoff,J. and Parrinello,M. and Scandolo,S. and Serra,S. and Tosatti,E. and, 1998

"Solid Molecular Phases of Hydrogen via Constant-pressure First-principles Molecular Dynamics"
Kohanoff,J. and Scandolo,S. and, 1998

"Molecular dynamics simulation of the a-Al2O3 lattice: dynamic properties"
Rambaut,C. and Jobic,H. and Jaffrezic,H. and Kohanoff,J. and Fayeulle,S. and, 1998

"An ab initio path integral integral Monte Carlo simulation method for molecules and clusters: application to Li4 and Li5+"
Weht,R.O. and Kohanoff,J. and Estrin,D.A. and Chakravarty,C. and, 1998

"A hybrid quantum and classical mechanical Monte Carlo simulation of the interaction of Hydrogen Chloride with solid water clusters"
Estrin,D.A. and Kohanoff,J. and Laría,D.H. and Weht,R.O. and, 1997

"Solid molecular hydrogen: The broken symmetry phase"
Kohanoff,J. and Scandolo,S. and Chiarotti,G.L. and Tosatti,E. and, 1997

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