Publications

Author:
Year:

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"Quasiparticle calculations of the electronic properties of ZrO2 and HfO2 polymorphs and their interface with Si"
Gruening,M. and Shaltaf,R. and Rignanese,G-M. and, 2010

"Asprich peptides are occluded in calcite and permanently disorder biomineral crystals"
Metzler,R. and Tribello,G. and Parrinello,M. and Gilbert,P., 2010

"A self-learning algorithm for biased molecular dynamics"
Tribello,G. and Ceriotti,M. and Parrinello,M., 2010

"Phonons, Instabilities "
Colizzi,G. and Lasave,J. and Kohanoff,J.J. and Migoni,R., 2010

" Shell Model Study of Local "
Koval,S. and Lasave,J. and Kohanoff,J.J and Migoni,R., 2010

"Quasiparticle calculations of the electronic properties ofZrO2andHfO2polymorphs and their interface with Si"
Myrta Grüning and Riad Shaltaf and Gian-Marco Rignanese, January 2010
doi:10.1103/physrevb.81.035330

"Structure and Dynamics of 1-Ethyl-3-methylimidazolium Acetate via Molecular Dynamics and Neutron Diffraction"
Bowron,D.T. and D'Agostino,C. and Gladden,L.F. and Hardacre,C. and Holbrey,J.D. and Lagunas,M.C. and McGregor,J. and Mantle,M.D. and Mullan,C.L. and Youngs,T.G.A. and, June 2010

"Modelling non-adiabatic processes using correlated electron-ion dynamics"
E. J. McEniry and Y. Wang and D. Dundas and T. N. Todorov and L. Stella and R. P. Miranda and A. J. Fisher and A. P. Horsfield and C. P. Race and D. R. Mason and W. M.C. Foulkes and A. P. Sutton, October 2010
doi:10.1140/epjb/e2010-00280-5

"Small angle neutron scattering from 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids ([C(n)mim][PF6], n=4, 6, and 8)"
Hardacre,C. and Holbrey,J.D. and Mullan,C.L. and Youngs,T.G.A. and Bowron,D.T. and, August 2010

"Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications"
M. Giantomassi and M. Stankovski and R. Shaltaf and M. Grüning and F. Bruneval and P. Rinke and G.-M. Rignanese, June 2010
doi:10.1002/pssb.201046094

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