Publications: The Novel Materials Discovery Laboratory (NoMaD) (H2020-EINFRA-5-2015, Centers of Excellence for Computing applications)


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These papers are ordered by article influence.

Phonon-driven spin-Floquet magneto-valleytronics in MoS2
Dongbin Shin,Hannes Hübener,Umberto De Giovannini,Hosub Jin,Angel Rubio, Noejung Park
Nature Communications 9, 638 (2018)
Large area planar stanene epitaxially grown on Ag(1 1 1)
Junji Yuhara,Yuya Fujii,Kazuki Nishino,Naoki Isobe,Masashi Nakatake,Lede Xian,Angel Rubio and Guy Le Lay
2D Materials 025002 (2018)
Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation
Ducke, Jacob; Riss, Alexander ; Pérez Paz, Alejandro; Seufert, Knud; Schwarz, Martin; Garnica, Manuela; Rubio, Angel; Auwärter, Willi
ACS Nano 12 (3), 2677 - 2684 (2018)
Ultrafast modification of Hubbard U in a strongly correlated material:ab initio high-harmonic generation in NiO
Nicolas Tancogne-Dejean,Michael A. Sentef, Angel Rubio
Physical Review Letters 121, 097402 (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)
Coupled forward-backward trajectory approach for non-equilibrium electron-ion dynamics
Shunsuke A. Sato, Aaron Kelly, Angel Rubio
Physical Review B 97, 134308 (2018)
Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
Yoshiyuki Miyamoto, Angel Rubio
Journal Of The Physical Society Of Japan 87, 041016 (2018)
First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory
Shunsuke A. Sato, Hannes Húbener, Angel Rubio, Umberto De Giovannini
European Physical Journal B 91: 126 (2018)
Ab-initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground state
Johannes Flick,Christian Schäfer,Michael Ruggenthaler,Heiko Appel, Angel Rubio
ACS Photonics 5, 992 - 1005 (2018)
Cavity quantum-electrodynamical polaritonically enhanced superconductivity
M. A. Sentef,M. Ruggenthaler, A. Rubio
(submitted), (2018)
Insights from ab-initio non-relativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics
Christian Schäfer,Michael Ruggenthaler, Angel Rubio
(submitted), (2018)
Light-Matter Response Functions in Quantum-Electrodynamical Density-Functional Theory: Modi cations of Spectra and of the Maxwell Equations
Johannes Flick,Davis M. Welakuh,Michael Ruggenthaler,Heiko Appel, Angel Rubio
(submitted), (2018)
Optical Excitations of Chlorophyll a and Chlorophyll b Monomers and Dimers
María Rosa Preciado-Rivas, Duncan John Mowbray, Ask Hjorth Larsen, Bruce Forbes Milne
Journal Of Chemical Theory And Computation (submitted), (2017)
Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
Johannes Flick,Heiko Appel,Michael Ruggenthaler,, Angel Rubio
Journal Of Chemical Theory And Computation 13 (4), 1616 - 1625 (2017)
A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems
Umberto De Giovannini, Hannes Hübener, Angel Rubio
Journal Of Chemical Theory And Computation 13 (1), 265 - 273 (2017)