Publications 2017

Years

Result pages: ‹ previous 1 2 3 next ›

These papers are ordered by article relevance.

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)
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)
Controlling heat and particle currents in nanodevices by quantum observation
Robert Biele, César A. Rodríguez-Rosario, Thomas Frauenheim, Angel Rubio
npj Quantum Materials 2, 38 (2017)
Non-locally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor
Shichao Yan, Luigi Malavolti, Jacob A. J. Burgess, Andrea Droghetti, Angel Rubio, Sebastian Loth
Science Advances 3, e1603137 (2017)
Stable Anchoring Chemistry for Room Temperature Charge Transport through Graphite-Molecule Contacts
Alexander V. Rudnev, Veerabhadrarao Kaliginedi, Andrea Droghetti, Hiroaki Ozawa, Akiyoshi Kuzume, Masa-aki Haga, Peter Broekmann, Ivan Rungger
Science Advances 3, e1602297 (2017)
Ab Initio Modeling of Plasmons in Metal-Semiconductor Bilayer Transition Metal Dichalcogenide Heterostructure
Huseyin Sener Sen, Lede Xian, Felipe Homrich da Jornada, Steven Louie, Angel Rubio
Israel Journal of Chemistry , (2017)
Towards the next generation of Thermoelectric Materials: tailoring electronic and phononic properties of nanomaterials
Olga Caballero-Calero, Roberto D'Agosta
6, N3065 - N3079 (2017)
Electronics and optoelectronics of quasi-1D layered transition metal trichalcogenides
Joshua O. Island, Aday J. Molina-Mendoza, Mariam Barawi, Robert Biele, Eduardo Flores, Jose M. Clamagirand, Jose R. Ares, Carlos Sanchez, Herre S.J. van der Zant, Roberto D'Agosta, Isabel J. Ferrer, Andres Castellanos-Gomez
4, (2017)