Publications: Scientific computing

Years

These papers are ordered by article relevance.

Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes
Sara G. Miralles, Amílcar Bedoya-Pinto, José J. Baldoví, Walter Cañón-Mancisidor, Yoann Prado, Helena Prima-Garcia, Alejandro Gaita-Ariño, Guillermo Minguez Espallargas, Luis E. Hueso, Eugenio Coronado
Chemical Science 9, 199 - 208 (2018)
Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective
Luis Escalera-Moreno, José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado
Chemical Science 9, 3265 - 3275 (2018)
Strain induced bang-gap engineering in layered TiS3
Robert Biele, Eduardo Flores, Jose Ramón Ares, Carlos Sanchez, Isabel J. Ferrer, Gabino Rubio-Bollinger, Andres Castellanos-Gomez, Roberto D'Agosta
Nano Research 11, 225 - 232 (2018)
Large birefringence and linear dichroism in TiS3 nanosheets
Papadopoulos, Nikolaos; Frisenda, Riccardo; Biele, Robert; Flores, Eduardo; Ares, Jose Ramon; Sanchez, Carlos; van der Zant, Herre; Ferrer, Isabel; D'Agosta, Roberto; Castellanos-Gomez, Andres
Nanoscale 10, 12424 (2018)
Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
Adrián Gómez Pueyo,Miguel A. L. Marques,Angel Rubio, Alberto Castro
Journal Of Chemical Theory And Computation 14,6, 3040 - 3052 (2018)