Publications 2017

Years

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These papers are ordered by article relevance.

Anomalous current in diffusive ferromagnetic Josephson junctions
Silaev, M. A., Tokatly, I. V., Bergeret, F. S.
Physical Review B 95, 184508 (2017)
h-AlN-Mg(OH)2 vdW Bilayer Heterostructure: Tuning the excitonic characteristics
C. Bacaksiz,A. Dominguez,A. Rubio,R. T. Senger,, H. Sahin
Physical Review B 95, 075423 (2017)
Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
Andrea Droghetti, Ivan Rungger
Physical Review B 95, 085131 (2017)
Theory of current-induced spin polarization in an electron gas
Gorini, Cosimo, Maleki Sheikhabadi, Amin, Shen, Ka, Tokatly, Ilya V., Vignale, Giovanni, Raimondi, Roberto
Physical Review B 95, 205424 (2017)
Transformation of Amorphous Carbon Clusters to Fullerenes
Alexander S. Sinitsa, Irina V. Lebedeva , Andrey M. Popov , Andrey A. Knizhnik
Journal Of Physical Chemistry C 121, 13396 - 13404 (2017)
Electronic Non-adiabatic Dynamics in Enhanced Ionization of Isotopologues of H2+ from the Exact Factorization Perspective
Elham Khosravi, Ali Abedi, Angel Rubio, Neepa T. Maitra
Physical Chemistry Chemical Physics 19, 8269 - 8281 (2017)
Custom Coordination Environments for Lanthanoids: Tripodal Ligands Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based Molecular Nanomagnets
Kwang Soo Lim, José J. Baldoví, ShangDa Jiang, Bong Ho Koo, Dong Won Kang, Woo Ram Lee, Eui Kwan Koh, Alejandro Gaita-Ariño, Eugenio Coronado, Michael Slota, Lapo Bogani,, Chang Seop Hong
Inorganic Chemistry 56 (9), 4911 - 4917 (2017)
Electronic Structure and Magnetic Anisotropy in Lanthanoid SingleIon Magnets with C3 Symmetry: The Ln(trenovan) Series
Eva Lucaccini, José J. Baldoví,* Laura Chelazzi, Anne-Laure Barra, Fabrizia Grepioni, Jean-Pierre Costes,, Lorenzo Sorace*
Inorganic Chemistry 56, 4728 - 4738 (2017)
Emergent elemental two-dimensional materials beyond graphene
Yuanbo Zhang,Angel Rubio, Guy Le Lay
Journal Of Physics D-Applied Physics 50, 053004 (11pp) (2017)
The atomic simulation environment—a Python library for working with atoms
Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, Ivano E Castelli, Rune Christensen, Marcin Dułak, Jesper Friis, Michael N Groves, Bjørk Hammer, Cory Hargus, Eric D Hermes, Paul C Jennings, Peter Bjerre Jensen, James Kermode, John R Kitchin, Esben Leonhard Kolsbjerg, Joseph Kubal, Kristen Kaasbjerg, Steen Lysgaard, Jón Bergmann Maronsson, Tristan Maxson, Thomas Olsen, Lars Pastewka, Andrew Peterson, Carsten Rostgaard, Jakob Schiøtz, Ole Schütt, Mikkel Strange, Kristian S Thygesen, Tejs Vegge, Lasse Vilhelmsen, Michael Walter, Zhenhua Zeng, Karsten W Jacobsen
Journal Of Physics-Condensed Matter 29, 273002 (2017)
Transport through correlated systems with density functional theory
S. Kurth, G. Stefanucci
Journal Of Physics-Condensed Matter 29, 413002 (2017)
libvdwxc: a library for exchange–correlation functionals in the vdW-DF family
Ask Hjorth Larsen, Mikael Kuisma, Joakim Löfgren, Yann Pouillon, Paul Erhart, Per Hyldgaard
Modelling And Simulation In Materials Science And Engineering 25, 065004 (2017)
Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride
Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Computational Materials Science 128, 45 - 58 (2017)
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
Philipp Wopperer, Umberto De Giovannini, Angel Rubio
European Physical Journal B 90:51, (2017)
Edge stacking dislocations in two-dimensional bilayers with a small lattice mismatch
Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Physica E 90, 49 - 54 (2017)