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QSpec-NewMat SIGNED

Quantum Spectroscopy: exploring new states of matter out of equilibrium

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Project "QSpec-NewMat" data sheet

The following table provides information about the project.

Coordinator
MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV 

Organization address
address: HOFGARTENSTRASSE 8
city: Munich
postcode: 80539
website: www.mpg.de

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Germany [DE]
 Project website https://www.mpsd.mpg.de/qspec-newmat
 Total cost 2˙492˙500 €
 EC max contribution 2˙492˙500 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2015-AdG
 Funding Scheme ERC-ADG
 Starting year 2016
 Duration (year-month-day) from 2016-10-01   to  2021-09-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV DE (Munich) coordinator 1˙620˙000.00
2    UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA ES (LEIOA) participant 872˙500.00

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 Project objective

This project addresses the development of novel theoretical and computational tools that utilize the quantum nature of light to understand and control quantum phenomena in complex systems in and out of equilibrium. Some examples of these processes include exciton-exciton interaction, quantum coherence, assisted energy and charge transport, photochemistry, and new states of matter.

The present project aims to build up the basic theoretical and computational machinery to allow quantum computations of the electronic and ionic dynamics of atomic, molecular or extended systems coupled to quantised electromagnetic fields and thereby set the stage for a new era in the first-principle computational modelling of light-matter interactions. To achieve this goal, we will combine the principles of time-dependent density functional theory (TDDFT) and quantum electrodynamics (QED) into a new quantum electrodynamical-DFT approach named as “QEDFT”.

Insight, design and control define the scientific rationale of the project, which will focus on the discovery of the general principles that describe and control systems far from equilibrium and orchestrate the behavior of many electrons and atoms to create new phenomena/states of matter. Besides developing and implementing the new theory of QEDFT, we will investigate atoms and molecules with quantum optical fields; whether and how selected laser pulses drive molecules and solids into new states of matter that have no equilibrium counterpart. What happens when it enters these coherent states? The objective is to identify the spectroscopic fingerprint of those new states. Which states arise in the strong light-matter coupling regime? e.g. hybridized states such as photon bound states, exciton/plasmon-polariton states, so far still undiscovered states. The long-term goal is to deliver an all-out theoretical and computational toolbox for QED-TDDFT applicable to complex molecular systems (like presently approachable by DFT and by TDDFT).

 Publications

year authors and title journal last update
List of publications.
2019 Alexander Kerelsky, Leo J. McGilly, Dante M. Kennes, Lede Xian, Matthew Yankowitz, Shaowen Chen, K. Watanabe, T. Taniguchi, James Hone, Cory Dean, Angel Rubio, Abhay N. Pasupathy
Maximized electron interactions at the magic angle in twisted bilayer graphene
published pages: 95-100, ISSN: 0028-0836, DOI: 10.1038/s41586-019-1431-9
Nature 572/7767 2019-11-13
2019 Simone Latini, Enrico Ronca, Umberto De Giovannini, Hannes Hübener, Angel Rubio
Cavity Control of Excitons in Two-Dimensional Materials
published pages: 3473-3479, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.9b00183
Nano Letters 19/6 2019-11-13
2019 Vasil Rokaj, Markus Penz, Michael A. Sentef, Michael Ruggenthaler, Angel Rubio
Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields
published pages: , ISSN: 0031-9007, DOI: 10.1103/physrevlett.123.047202
Physical Review Letters 123/4 2019-11-13
2019 Lede Xian, Dante M. Kennes, Nicolas Tancogne-Dejean, Massimo Altarelli, Angel Rubio
Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor
published pages: 4934-4940, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.9b00986
Nano Letters 19/8 2019-11-13
2019 S A Sato, P Tang, M A Sentef, U De Giovannini, H Hübener, A Rubio
Light-induced anomalous Hall effect in massless Dirac fermion systems and topological insulators with dissipation
published pages: 93005, ISSN: 1367-2630, DOI: 10.1088/1367-2630/ab3acf
New Journal of Physics 21/9 2019-11-13
2019 Florian Buchholz, Iris Theophilou, Soeren E. B. Nielsen, Michael Ruggenthaler, Angel Rubio
Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
published pages: , ISSN: 2330-4022, DOI: 10.1021/acsphotonics.9b00648
ACS Photonics 2019-11-13
2018 F. Covito, F. G. Eich, R. Tuovinen, M. A. Sentef, A. Rubio
Transient Charge and Energy Flow in the Wide-Band Limit
published pages: 2495-2504, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b00077
Journal of Chemical Theory and Computation 14/5 2019-06-13
2017 L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, R. Ernstorfer
Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe 2
published pages: , ISSN: 0031-9007, DOI: 10.1103/PhysRevLett.119.036803
Physical Review Letters 119/3 2019-06-13
2018 Shunsuke A. Sato, Aaron Kelly, Angel Rubio
Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.97.134308
Physical Review B 97/13 2019-06-13
2017 Tanja Dimitrov, Johannes Flick, Michael Ruggenthaler, Angel Rubio
Exact functionals for correlated electron–photon systems
published pages: 113036, ISSN: 1367-2630, DOI: 10.1088/1367-2630/aa8f09
New Journal of Physics 19/11 2019-06-13
2017 Johannes Flick, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
published pages: 3026-3034, ISSN: 0027-8424, DOI: 10.1073/pnas.1615509114
Proceedings of the National Academy of Sciences 114/12 2019-06-13
2018 Iris Theophilou, Florian Buchholz, F. G. Eich, Michael Ruggenthaler, Angel Rubio
Kinetic-Energy Density-Functional Theory on a Lattice
published pages: 4072-4087, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b00292
Journal of Chemical Theory and Computation 14/8 2019-06-13
2017 Tancogne-Dejean, Nicolas; Mücke, Oliver D.; Kärtner, Franz X.; Rubio, Angel
Ellipticity dependence of high-harmonic generation in solids: unraveling the interplay between intraband and interband dynamics
published pages: , ISSN: 2041-1723, DOI: 10.3204/PUBDB-2017-11098
Nature Communications 8(1), 745 (2017). doi:10.1038/s41467-017-00764-5 1 2019-06-13
2017 Lede Xian, Alejandro Pérez Paz, Elisabeth Bianco, Pulickel M Ajayan, Angel Rubio
Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties
published pages: 41003, ISSN: 2053-1583, DOI: 10.1088/2053-1583/aa8418
2D Materials 4/4 2019-06-13
2018 Nicolas Tancogne-Dejean, Michael A. Sentef, Angel Rubio
Ultrafast Modification of Hubbard U in a Strongly Correlated Material: Ab initio High-Harmonic Generation in NiO
published pages: , ISSN: 0031-9007, DOI: 10.1103/physrevlett.121.097402
Physical Review Letters 121/9 2019-06-13
2018 Johanna I. Fuks, Lionel Lacombe, Søren E. B. Nielsen, Neepa T. Maitra
Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT
published pages: 26145-26160, ISSN: 1463-9076, DOI: 10.1039/C8CP03957G
Physical Chemistry Chemical Physics 20/41 2019-06-13
2018 Castro, Alberto; Appel, Heiko; Rubio, Angel
Optimal control theory for quantum electrodynamics: an initial state problem
published pages: , ISSN: , DOI:
1 2019-06-13
2018 Jacob Ducke, Alexander Riss, Alejandro Pérez Paz, Knud Seufert, Martin Schwarz, Manuela Garnica, Angel Rubio, Willi Auwärter
Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation
published pages: 2677-2684, ISSN: 1936-0851, DOI: 10.1021/acsnano.7b08887
ACS Nano 12/3 2019-06-13
2018 M. A. Sentef, M. Ruggenthaler, A. Rubio
Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity
published pages: eaau6969, ISSN: 2375-2548, DOI: 10.1126/sciadv.aau6969
Science Advances 4/11 2019-06-13
2018 Christian Schäfer, Michael Ruggenthaler, Angel Rubio
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
published pages: , ISSN: 2469-9926, DOI: 10.1103/physreva.98.043801
Physical Review A 98/4 2019-06-13
2016 Hübener, H.; De Giovannini, U.; Rubio, A.
Monitoring electron-photon dressing in WSe2
published pages: 7993–7998, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.6b04419
Nano Letters 2016, 16 (12) 4 2019-06-13
2018 Michael Ruggenthaler, Nicolas Tancogne-Dejean, Johannes Flick, Heiko Appel, Angel Rubio
From a quantum-electrodynamical light–matter description to novel spectroscopies
published pages: 118, ISSN: 2397-3358, DOI: 10.1038/s41570-018-0118
Nature Reviews Chemistry 2/3 2019-06-13
2018 Vasil Rokaj, Davis M Welakuh, Michael Ruggenthaler, Angel Rubio
Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy
published pages: 34005, ISSN: 0953-4075, DOI: 10.1088/1361-6455/aa9c99
Journal of Physics B: Atomic, Molecular and Optical Physics 51/3 2019-06-13
2017 C. Bacaksiz, A. Dominguez, A. Rubio, R. T. Senger, H. Sahin
h -AlN- Mg ( OH ) 2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.95.075423
Physical Review B 95/7 2019-06-13
2017 Rodrigo Seraide, Mario A. Bernal, Gustavo Brunetto, Umberto de Giovannini, Angel Rubio
TDDFT-Based Study on the Proton–DNA Collision
published pages: 7276-7283, ISSN: 1520-6106, DOI: 10.1021/acs.jpcb.7b04934
The Journal of Physical Chemistry B 121/30 2019-06-13
2018 Hannes Hübener, Umberto De Giovannini, Angel Rubio
Phonon Driven Floquet Matter
published pages: 1535-1542, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.7b05391
Nano Letters 18/2 2019-06-13
2017 Shichao Yan, Luigi Malavolti, Jacob A. J. Burgess, Andrea Droghetti, Angel Rubio, Sebastian Loth
Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor
published pages: e1603137, ISSN: 2375-2548, DOI: 10.1126/sciadv.1603137
Science Advances 3/5 2019-06-13
2019 Guillermo Albareda, Aaron Kelly, Angel Rubio
Nonadiabatic quantum dynamics without potential energy surfaces
published pages: , ISSN: 2475-9953, DOI: 10.1103/PhysRevMaterials.3.023803
Physical Review Materials 3/2 2019-06-13
2018 Norah M. Hoffmann, Heiko Appel, Angel Rubio, Neepa T. Maitra
Light-matter interactions via the exact factorization approach
published pages: , ISSN: 1434-6028, DOI: 10.1140/epjb/e2018-90177-6
The European Physical Journal B 91/8 2019-06-13
2018 Junji Yuhara, Yuya Fujii, Kazuki Nishino, Naoki Isobe, Masashi Nakatake, Lede Xian, Angel Rubio, Guy Le Lay
Large area planar stanene epitaxially grown on Ag(1 1 1)
published pages: 25002, ISSN: 2053-1583, DOI: 10.1088/2053-1583/aa9ea0
2D Materials 5/2 2019-06-13
2016 Hübener, H.; De Giovannini, U.; Rubio, A.
A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems
published pages: 265–273, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.6b00897
Journal of Chemical Theory and Computation 2017, 13 (1) 2 2019-06-13
2017 Johannes Flick, Heiko Appel, Michael Ruggenthaler, Angel Rubio
Cavity Born–Oppenheimer Approximation for Correlated Electron–Nuclear-Photon Systems
published pages: 1616-1625, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.6b01126
Journal of Chemical Theory and Computation 13/4 2019-06-13
2018 Guillaume Le Breton, Angel Rubio, Nicolas Tancogne-Dejean
High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.98.165308
Physical Review B 98/16 2019-06-13
2018 Fabio Covito, Enrico Perfetto, Angel Rubio, Gianluca Stefanucci
Benchmarking nonequilibrium Green’s functions against configuration interaction for time-dependent Auger decay processes
published pages: , ISSN: 1434-6028, DOI: 10.1140/epjb/e2018-90161-2
The European Physical Journal B 91/10 2019-06-13
2017 Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Angel Rubio
Self-consistent DFT + U method for real-space time-dependent density functional theory calculations
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.96.245133
Physical Review B 96/24 2019-06-13
2017 Robert Biele, César A. Rodríguez-Rosario, Thomas Frauenheim, Angel Rubio
Controlling heat and particle currents in nanodevices by quantum observation
published pages: , ISSN: 2397-4648, DOI: 10.1038/s41535-017-0043-6
npj Quantum Materials 2/1 2019-06-13
2017 Johannes Flick, Christian Schäfer, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
published pages: 992-1005, ISSN: 2330-4022, DOI: 10.1021/acsphotonics.7b01279
ACS Photonics 5/3 2019-06-13
2017 Hannes Hübener, Michael A. Sentef, Umberto De Giovannini, Alexander F. Kemper, Angel Rubio
Creating stable Floquet–Weyl semimetals by laser-driving of 3D Dirac materials
published pages: 13940, ISSN: 2041-1723, DOI: 10.1038/ncomms13940
Nature Communications 8 2019-06-13
2018 Gabriel E. Topp, Nicolas Tancogne-Dejean, Alexander F. Kemper, Angel Rubio, Michael A. Sentef
All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-018-06991-8
Nature Communications 9/1 2019-06-13
2018 Yoshiyuki Miyamoto, Angel Rubio
Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
published pages: 41016, ISSN: 0031-9015, DOI: 10.7566/jpsj.87.041016
Journal of the Physical Society of Japan 87/4 2019-06-13
2017 Elham Khosravi, Ali Abedi, Angel Rubio, Neepa T. Maitra
Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective
published pages: 8269-8281, ISSN: 1463-9076, DOI: 10.1039/C6CP08539C
Phys. Chem. Chem. Phys. 19/12 2019-06-13
2017 Edoardo Baldini, Adriel Dominguez, Letizia Chiodo, Evgeniia Sheveleva, Meghdad Yazdi-Rizi, Christian Bernhard, Angel Rubio, Majed Chergui
Anomalous anisotropic exciton temperature dependence in rutile TiO 2
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.96.041204
Physical Review B 96/4 2019-06-13
2018 Adrián Gómez Pueyo, Miguel A. L. Marques, Angel Rubio, Alberto Castro
Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
published pages: 3040-3052, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b00197
Journal of Chemical Theory and Computation 14/6 2019-06-13
2017 Yoshiyuki Miyamoto, Hong Zhang, Xinlu Cheng, Angel Rubio
Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.96.115451
Physical Review B 96/11 2019-06-13
2017 E. Baldini, L. Chiodo, A. Dominguez, M. Palummo, S. Moser, M. Yazdi-Rizi, G. Auböck, B.P.P. Mallett, H. Berger, A. Magrez, C. Bernhard, M. Grioni, A. Rubio, M. Chergui
Strongly bound excitons in anatase TiO2 single crystals and nanoparticles
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-017-00016-6
Nature Communications 8/1 2019-06-13
2018 Shunsuke A. Sato, Matteo Lucchini, Mikhail Volkov, Fabian Schlaepfer, Lukas Gallmann, Ursula Keller, Angel Rubio
Role of intraband transitions in photocarrier generation
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.98.035202
Physical Review B 98/3 2019-06-13
2018 Dongbin Shin, Hannes Hübener, Umberto De Giovannini, Hosub Jin, Angel Rubio, Noejung Park
Phonon-driven spin-Floquet magneto-valleytronics in MoS2
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-018-02918-5
Nature Communications 9/1 2019-06-13
2016 Guillermo Albareda, Ali Abedi, Ivano Tavernelli, Angel Rubio
Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture
published pages: , ISSN: 2469-9926, DOI: 10.1103/physreva.94.062511
Physical Review A 94/6 2019-06-13
2017 Philipp Wopperer, Umberto De Giovannini, Angel Rubio
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
published pages: , ISSN: 1434-6028, DOI: 10.1140/epjb/e2017-70548-3
The European Physical Journal B 90/3 2019-06-13
2018 Edoardo Baldini, Tania Palmieri, Adriel Dominguez, Pascal Ruello, Angel Rubio, Majed Chergui
Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO 2 Nanoparticles
published pages: 5007-5014, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.8b01837
Nano Letters 18/8 2019-06-13
2018 Nicolas Tancogne-Dejean, Angel Rubio
Atomic-like high-harmonic generation from two-dimensional materials
published pages: eaao5207, ISSN: 2375-2548, DOI: 10.1126/sciadv.aao5207
Science Advances 4/2 2019-06-13
2018 Georgies Alene Asres, José J. Baldoví, Aron Dombovari, Topias Järvinen, Gabriela Simone Lorite, Melinda Mohl, Andrey Shchukarev, Alejandro Pérez Paz, Lede Xian, Jyri-Pekka Mikkola, Anita Lloyd Spetz, Heli Jantunen, Ángel Rubio, Krisztian Kordás
Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials
published pages: 1-10, ISSN: 1998-0124, DOI: 10.1007/s12274-018-2009-9
Nano Research 2019-06-13
2017 Nicolas Tancogne-Dejean, Oliver D. Mücke, Franz X. Kärtner, Angel Rubio
Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids
published pages: , ISSN: 0031-9007, DOI: 10.1103/PhysRevLett.118.087403
Physical Review Letters 118/8 2019-06-13
2016 Fatih Ersan, Seymur Cahangirov, Gökhan Gökoğlu, Angel Rubio, Ethem Aktürk
Stable monolayer honeycomb-like structures of Ru X 2 ( X = S , Se )
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.94.155415
Physical Review B 94/15 2019-06-13
2017 Lei Shi, Philip Rohringer, Marius Wanko, Angel Rubio, Sören Waßerroth, Stephanie Reich, Sofie Cambré, Wim Wenseleers, Paola Ayala, Thomas Pichler
Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne
published pages: , ISSN: 2475-9953, DOI: 10.1103/PhysRevMaterials.1.075601
Physical Review Materials 1/7 2019-06-13
2018 Shunsuke A. Sato, Hannes Hübener, Angel Rubio, Umberto De Giovannini
First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory
published pages: , ISSN: 1434-6028, DOI: 10.1140/epjb/e2018-90108-7
The European Physical Journal B 91/6 2019-06-13
2018 Lang Peng, Jing-Jing Xian, Peizhe Tang, Angel Rubio, Shou-Cheng Zhang, Wenhao Zhang, Ying-Shuang Fu
Visualizing topological edge states of single and double bilayer Bi supported on multibilayer Bi(111) films
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.98.245108
Physical Review B 98/24 2019-06-06
2018 Alexander Kerelsky, Leo McGilly, Dante M. Kennes, Lede Xian, Matthew Yankowitz, Shaowen Chen, K. Watanabe, T. Taniguchi, James Hone, Cory Dean, Angel Rubio, Abhay N. Pasupathy
Magic Angle Spectroscopy
published pages: , ISSN: , DOI:
2019-06-06
2019 Dongbin Shin, Shunsuke A. Sato, Hannes Hübener, Umberto De Giovannini, Jeongwoo Kim, Noejung Park, Angel Rubio
Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states
published pages: 4135-4140, ISSN: 0027-8424, DOI: 10.1073/pnas.1816904116
Proceedings of the National Academy of Sciences 116/10 2019-06-06
2018 S. E. B. Nielsen, C. Schäfer, M. Ruggenthaler, A. Rubio
Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond
published pages: , ISSN: , DOI:
2019-06-06
2016 J. Flick
Exact nonadiabatic many-body dynamics: electron-phonon coupling in photoelectron spectroscopy and light-matter interactions in quantum electrodynamical density-functional theory
published pages: , ISSN: , DOI:
PhD THesis, Humboldt-Universität zu Berlin 2019-06-06
2018 Faruk Krečinić, Philipp Wopperer, Biagio Frusteri, Felix Brauße, Jean-Gabriel Brisset, Umberto De Giovannini, Angel Rubio, Arnaud Rouzée, Marc J. J. Vrakking
Multiple-orbital effects in laser-induced electron diffraction of aligned molecules
published pages: , ISSN: 2469-9926, DOI: 10.1103/physreva.98.041401
Physical Review A 98/4 2019-06-06
2018 Simone Latini, Enrico Ronca, Umberto de Giovannini, Hannes Hübener and Angel Rubio
Ab-initio Exciton-polaritons: Cavity control of Dark Excitons in two dimensional Materials
published pages: , ISSN: , DOI:
2019-06-06
2018 Shunsuke Sato, Hannes Hübener, Umberto De Giovannini, Angel Rubio
Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials
published pages: 1777, ISSN: 2076-3417, DOI: 10.3390/app8101777
Applied Sciences 8/10 2019-06-06
2016 Ilkka Kylänpää, Fulvio Berardi, Esa Räsänen, Pablo García-González, Carlo Andrea Rozzi, Angel Rubio
Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study
published pages: 83014, ISSN: 1367-2630, DOI: 10.1088/1367-2630/18/8/083014
New Journal of Physics 18/8 2019-06-06
2018 F. Covito, E. Perfetto, A. Rubio, G. Stefanucci
Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes
published pages: , ISSN: 2469-9926, DOI: 10.1103/PhysRevA.97.061401
Physical Review A 97/6 2019-06-06
2017 T. Dimitrov
Exact Maps in Density-Functional Theory
published pages: , ISSN: , DOI:
PhD Thesis, Technische Universität Berlin 2019-06-06
2019 D. A. Duncan, P. Casado Aguilar, M. Paszkiewicz, K. Diller, F. Bondino, E. Magnano, F. Klappenberger, I. Píš, A. Rubio, J. V. Barth, A. Pérez Paz, F. Allegretti
Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation
published pages: 94702, ISSN: 0021-9606, DOI: 10.1063/1.5084027
The Journal of Chemical Physics 150/9 2019-06-06
2017 J. Borge, I. V. Tokatly
Ballistic spin transport in the presence of interfaces with strong spin-orbit coupling
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.96.115445
Physical Review B 96/11 2019-06-06
2018 Rokaj, Vasil; Penz, Markus; Sentef, Michael A; Ruggenthaler, Michael; Rubio, Angel
Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields
published pages: , ISSN: , DOI:
2 2019-06-06
2018 Martin Claassen, Dante M. Kennes, Manuel Zingl, Michael A. Sentef, Angel Rubio
Universal Optical Control of Chiral Superconductors and Majorana Modes
published pages: , ISSN: , DOI:
2019-06-06
2019 T. Reinhard
Density Matrix Embedding Theory: Foundations, Applications and Connection to Functional Theories
published pages: , ISSN: , DOI:
2019-06-06
2018 M. Volkov, S. A. Sato, F. Schlaepfer, L. Kasmi, N. Hartmann, M. Lucchini, L. Gallmann, A. Rubio, U. Keller
Attosecond screening dynamics mediated by electron-localization
published pages: , ISSN: , DOI:
2019-06-06
2019 Yoshiyuki Miyamoto, Hong Zhang, Xinlu Cheng, Angel Rubio
Ab initio simulation of laser-induced water decomposition close to carbon nanotubes
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.99.165424
Physical Review B 99/16 2019-06-06
2018 Johannes Flick, Davis M Welakuh, Michael Ruggenthaler, Heiko Appel and Angel Rubio
Light-Matter Response Functions in Quantum-Electrodynamical Density-Functional Theory: Modications of Spectra and of the Maxwell Equations
published pages: , ISSN: , DOI:
2019-06-06
2018 Florian Buchholz, Iris Theophilou,, Soeren Ersbak Bang Nielsen, Michael Ruggenthaler, Angel Rubio
Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
published pages: , ISSN: , DOI:
2019-06-06
2019 Teresa E. Reinhard, Uliana Mordovina, Claudius Hubig, Joshua S. Kretchmer, Ulrich Schollwöck, Heiko Appel, Michael A. Sentef, Angel Rubio
Density-Matrix Embedding Theory Study of the One-Dimensional Hubbard–Holstein Model
published pages: 2221-2232, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b01116
Journal of Chemical Theory and Computation 15/4 2019-06-06
2019 Irina V. Lebedeva, David A. Strubbe, Ilya V. Tokatly, Angel Rubio
Orbital magneto-optical response of periodic insulators from first principles
published pages: , ISSN: 2057-3960, DOI: 10.1038/s41524-019-0170-7
npj Computational Materials 5/1 2019-06-06
2019 Norah M. Hoffmann, Christian Schäfer, Angel Rubio, Aaron Kelly, Heiko Appel
Capturing Vacuum Fluctuations and Photon Correlations in Cavity Quantum Electrodynamics with Multi-Trajectory Ehrenfest Dynamics
published pages: , ISSN: , DOI:
2019-06-06
2018 René J. Jestädt
Fully coupled Maxwell Kohn Sham systems: electromagnetic field propagation in Schrödinger-like form and ab-initio self- consistent light-matter interactions
published pages: , ISSN: , DOI:
2019-06-06
2019 Christian Schäfer, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry
published pages: 4883-4892, ISSN: 0027-8424, DOI: 10.1073/pnas.1814178116
Proceedings of the National Academy of Sciences 116/11 2019-06-06
2018 Lede Xian, Dante M. Kennes, Nicolas Tancogne-Dejean, Massimo Altarelli, Angel Rubio
Multi-flat bands and strong correlations in Twisted Bilayer Boron Nitride
published pages: , ISSN: , DOI:
2019-06-06
2018 Fabio Covito, Enrico Perfetto, Angel Rubio, Gianluca Stefanucci
Benchmarking nonequilibrium Green’s functions against configuration interaction for time-dependent Auger decay processes
published pages: , ISSN: 1434-6028, DOI: 10.1140/epjb/e2018-90161-2
The European Physical Journal B 91/10 2019-04-18

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