Quantum Spectroscopy: exploring new states of matter out of equilibrium

Publications

Local Sensing of Correlated Electrons in Dual-moiré Heterostructures using Dipolar Excitons

Author(s): Li, W., Devenica, L. M., Zhang, J., Zhang, Y., Lu, X., Watanabe, K., Taniguchi, T., Rubio, A., & Srivastava, A.
Published in: arXiv, 2021
Publisher: Cornell University

Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO$_3$

Author(s): Shin, Dongbin; Latini, Simone; Schafer, Christian; Sato, Shunsuke A.; Baldini, Edoardo; De Giovannini, Umberto; Hubener, Hannes; Rubio, Angel
Published in: arXiv, 2021
Publisher: Cornell University

Cavity-Modulated Proton Transfer Reactions

Author(s): Fabijan Pavošević, Sharon Hammes-Schiffer, Angel Rubio, Johannes Flick
Published in: arXiv, 2021
Publisher: Cornell University

Polaritonic Hofstadter Butterfly and Cavity-Control of the Quantized Hall Conductance.

Author(s): Rokaj, V., Penz, M., Sentef, M. A., Ruggenthaler, M., & Rubio, A.
Published in: arXiv, 2021
Publisher: Cornell University

A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity

Author(s): Sidler, Dominik; Ruggenthaler, Michael; Schäfer, Christian; Ronca, Enrico; Rubio, Angel
Published in: arXiv, Issue 14, 2021
Publisher: Cornell niversity

Floquet Engineering of Magnetism in Topological Insulator Thin Films.

Author(s): Liu, X., Tang, P., Hübener, H., de Giovannini, U., Duan, W., & Rubio, A.
Published in: arXiv, 2021
Publisher: Cornell Universitty

Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi

Author(s): Tancogne-Dejean, N.; Eich, F.; Rubio, A.
Published in: Issue 1, 2021
Publisher: arXIv

Ultra-Strong Spin-Orbit Coupling and Topological Moiré Engineering in Twisted ZrS2 Bilayers

Author(s): Claassen, M., Xian, L. D., Kennes, D. M., & Rubio, A.
Published in: arXiv, 2021
Publisher: Cornell University

The Free Electron Gas in Cavity Quantum Electrodynamics

Author(s): Rokaj, Vasil; Ruggenthaler, Michael; Eich, Florian G.; Rubio, Angel
Published in: Issue 4, 2020
Publisher: arXiv

Microscopic Theory of Ultrafast Skyrmion Excitation by Light

Author(s): Viñas Boström, E.; Rubio, A.; Verdozzi, C.
Published in: Issue 5, 2020
Publisher: arXiv Cornell University

Ultrafast modification of the electronic structure of a correlated insulator

Author(s): Vaskivskyi, O.; Thunström, P.; Ghimire, S.; Knut, R.; Söderström, J.; Kjellsson, L.; Turenne, D.; Engel, R.; Beye, M.; Lu, J.; Reid, A.; Schlotter, W.; Coslovich, G.; Hoffmann, M.; Kolesov, G.; Schüßler-Langeheine, C.; Styervoyedov, A.; Tancogne-Dejean, N.; Sentef, M.; Reis, D.; Rubio, A.; Parkin, S.; Karis, O.; Nordgren, J.; Rubensson, J.; Eriksson, O.; Dürr, H.
Published in: Issue 4, 2020
Publisher: Cornell University

Magnon frequency renormalization by the electronic geometrical spin torque in itinerant magnets

Author(s): Emil Viñas Boström, Florian G. Eich, Angel Rubio
Published in: arXiv, 2021
Publisher: Cornell University

Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond

Author(s): S. E. B. Nielsen, C. Schäfer, M. Ruggenthaler, A. Rubio
Published in: 2018
Publisher: arXiv

Single-atom control of the optoelectronic response in sub-nanometric cavities

Author(s): Garcia-Gonzalez, Pablo; Varas, Alejandro; Garcia-Vidal, F. J.; Rubio, Angel
Published in: Issue 13, 2019
Publisher: arXiv

Detecting multiple chirality centers in chiral molecules with high harmonic generation.

Author(s): Neufeld, O., Wengrowicz, O., Peleg, O., Rubio, A., & Cohen, O.
Published in: arXiv, 2021
Publisher: Cornell University

Excited-state band structure mapping

Author(s): Puppin, M., Nicholson, C. W., Monney, C., Deng, Y., Xian, R. P., Feldl, J., Dong, S., Dominguez, A., Hübener, H., Rubio, A., Wolf, M., Rettig, L., & Ernstorfer, R
Published in: arXiv, 2021
Publisher: Cornell University

Nanometer-scale lateral p-n junctions in graphene/α-RuCl3 heterostructures.

Author(s): Rizzo, D. J., Shabani, S., Jessen, B. S., Zhang, J., McLeod, A. S., Rubio-Verdú, C., Ruta, F. L., Cothrine, M., Yan, J., Mandrus, D. G., Nagler, S. E., Rubio, A., Hone, J. C., Dean, C. R., Pasupathy, A. N., & Basov, D. N.
Published in: arXiv, 2021
Publisher: Cornell University

Soft-x-ray spectroscopy of monolayer transition metal dichalcogenides: valley selectivity?

Author(s): 1Geondzhian, A., Rubio, A., & Altarelli, M.
Published in: arXiv, 2021
Publisher: Cornell University

Universal moiré nematic phase in twisted graphitic systems

Author(s): Carmen Rubio-Verdú,Simon Turkel,Larry Song,Lennart Klebl,Rhine Samajdar,Mathias S. Scheurer, Jörn W. F. Venderbos,Kenji Watanabe,Takashi Taniguchi,Héctor Ochoa,Lede Xian,Dante Kennes,Rafael M. Fernandes,Ángel Rubio, Abhay N. Pasupathy
Published in: 2020
Publisher: arXiv

Spin-orbit induced equilibrium spin currents in materials.

Author(s): Droghetti, A., Rungger, I., Rubio, A., & Tokatly, I. V.
Published in: arXiv, 2021
Publisher: Cornell University

Optically-Induced Symmetry Breaking via Nonlinear Phononics.

Author(s): Ginsberg, J. S., Jadidi, M. M., Zhang, J., Chen, C. Y., Chae, S. H., Patwardhan, G. N., Xian, L. D., Tancogne-Dejean, N., Watanabe, K., Taniguchi, T., Hone, J., Rubio, A., & Gaeta, A. L.
Published in: arXiv, 2021
Publisher: Cornell University

Coherent strong-coupling of terahertz magnons and phonons in a Van der Waals antiferromagnetic insulator

Author(s): Zhang, Q., Ozerov, M., Viñas Boström, E., Cui, J., Suri, N., Jiang, Q., Wang, C., Wu, F., Hwangbo, K., Chu, J.-H., Xiao, D., Rubio, A., & Xu, X.
Published in: arXiv, 2021
Publisher: Cornell University

Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity

Author(s): Schäfer, Christian; Flick, Johannes; Ronca, Enrico; Narang, Prineha; Rubio, Angel
Published in: arXiv, 2021
Publisher: Cornell University

Light–Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics

Author(s): Florian Buchholz, Iris Theophilou, Klaas J. H. Giesbertz, Michael Ruggenthaler, Angel Rubio
Published in: Journal of Chemical Theory and Computation, Issue 16/9, 2020, Page(s) 5601-5620, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.0c00469

Realization of Nearly Dispersionless Bands with Strong Orbital Anisotropy from Destructive Interference in Twisted Bilayer MoS2

Author(s): Xian, Lede; Claassen, Martin; Kiese, Dominik; Scherer, Michael M.; Trebst, Simon; Kennes, Dante M.; Rubio, Angel
Published in: Nature Communications, Issue 12, 2021, Page(s) 5644 (2021), ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-25922-8

Light-induced topological magnons in two-dimensional van der Waals magnets

Author(s): Emil Viñas Boström, Martin Claassen, James W. McIver, Gregor Jotzu, Angel Rubio, Michael A. Sentef
Published in: SciPost Physics, 2020, ISSN 2542-4653
Publisher: SciPost
DOI: 10.21468/scipostphys.9.4.061

Correlation-driven sub-3 fs charge migration in ionised adenine

Author(s): Erik P. Mansson, Simone Latini, Fabio Covito, Vincent Wanie, Mara Galli, Enrico Perfetto, Gianluca Stefanucci, Hannes Huebener, Umberto De Giovannini, Mattea C. Castrovilli, Andrea Trabattoni, Fabio Frassetto, Luca Poletto, Jason B. Greenwood, Francois Legare, Mauro Nisoli, Angel Rubio, Francesca Calegari
Published in: Communications Chemistry, Issue 4, Article number: 73, 2021, ISSN 2399-3669
Publisher: Springer Nature
DOI: 10.1038/s42004-021-00510-5

Survival of Floquet–Bloch States in the Presence of Scattering

Author(s): Sven Aeschlimann, Shunsuke A. Sato, Razvan Krause, Mariana Chávez-Cervantes, Umberto De Giovannini, Hannes Hübener, Stiven Forti, Camilla Coletti, Kerstin Hanff, Kai Rossnagel, Angel Rubio, Isabella Gierz
Published in: Nano Letters, Issue 21/12, 2021, Page(s) 5028-5035, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.1c00801

Room Temperature Terahertz Electroabsorption Modulation by Excitons in Monolayer Transition Metal Dichalcogenides

Author(s): Jiaojian Shi, Edoardo Baldini, Simone Latini, Shunsuke A. Sato, Yaqing Zhang, Brandt C. Pein, Pin-Chun Shen, Jing Kong, Angel Rubio, Nuh Gedik, Keith A. Nelson
Published in: Nano Letters, Issue 20/7, 2020, Page(s) 5214-5220, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.0c01134

Nonlinear twistoptics at symmetry-broken interfaces

Author(s): Yao, Kaiyuan; Finney, Nathan R.; Zhang, Jin; Moore, Samuel L.; Xian, Lede; Tancogne-Dejean, Nicolas; Liu, Fang; Ardelean, Jenny; Xu, Xinyi; Halbertal, Dorri; Watanabe, K.; Taniguchi, T.; Ochoa, Hector; Asenjo-Garcia, Ana; Zhu, Xiaoyang; Basov, D. N.; Rubio, Angel; Dean, Cory R.; Hone, James; Schuck, P. James
Published in: Sciences Advances, Issue Vol 7, Issue 10, 2021, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abe8691

Higher-Order Band Topology in Twisted Moiré Superlattice.

Author(s): Bing Liu; Lede Xian; Haimen Mu; Gan Zhao; Zhao Liu; Angel Rubio; Z. F. Wang
Published in: Physical Review Letters, Issue 2, 2021, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.126.066401

Contrasting Efficiency of Electron-Induced Reaction at Cu(110) in Aliphatic and Aromatic Bromides

Author(s): Matthew J. Timm, Lydie Leung, Kelvin Anggara, Tingbin Lim, Zhixin Hu, Simone Latini, Angel Rubio, John C. Polanyi
Published in: Journal of the American Chemical Society, Issue 142/20, 2020, Page(s) 9453-9459, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.0c02851

High-order harmonic generation in graphene: Nonlinear coupling of intraband and interband transitions

Author(s): Shunsuke A. Sato, Hideki Hirori, Yasuyuki Sanari, Yoshihiko Kanemitsu, Angel Rubio
Published in: Physical Review B, Issue 103/4, 2021, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.103.l041408

Engineering Three-Dimensional Moiré Flat Bands

Author(s): Lede Xian, Ammon Fischer, Martin Claassen, Jin Zhang, Angel Rubio, Dante M. Kennes
Published in: Nano Letters, Issue 21/18, 2021, Page(s) 7519-7526, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.1c01684

Floquet states in dissipative open quantum systems

Author(s): S A Sato, U De Giovannini, S Aeschlimann, I Gierz, H Hübener, A Rubio
Published in: Journal of Physics B: Atomic, Molecular and Optical Physics, Issue 53/22, 2020, Page(s) 225601, ISSN 0953-4075
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-6455/abb127

Photoionization and transient Wannier-Stark ladder in silicon: First principle simulations versus Keldysh theory

Author(s): Derrien, T.-J.-Y., Tancogne-Dejean, N., Zhukov, V. P., Appel, H., Rubio, A., & Bulgakova, N. M.
Published in: Physical Review B, Issue 104, 2021, Page(s) L241201, ISSN 2469-9969
Publisher: American Physical Society
DOI: 10.1103/physrevb.104.l241201

Nonlinear electric conductivity and light-induced charge transport in graphene

Author(s): Sato, Shunsuke A.; Rubio, Angel
Published in: New Journal of Physics, Issue 23, 2021, Page(s) 063047, ISSN 1367-2630
Publisher: Institute of Physics Publishing
DOI: 10.1088/1367-2630/ac03d0

Down-conversion processes in ab-initio non-relativistic quantum electrodynamics

Author(s): Welakuh, Davis M.; Ruggenthaler, Michael; Tchenkoue, Mary-Leena M.; Appel, Heiko; Rubio, Angel
Published in: Physical Review Research, Issue 3 (3), 2021, Page(s) 033067, ISSN 2643-1564
Publisher: American Physical Society (APS)
DOI: 10.1103/physrevresearch.3.033067

Moiréless correlations in ABCA graphene

Author(s): Alexander Kerelsky, Carmen Rubio-Verdú, Lede Xian, Dante M. Kennes, Dorri Halbertal, Nathan Finney, Larry Song, Simon Turkel, Lei Wang, Kenji Watanabe, Takashi Taniguchi, James Hone, Cory Dean, Dmitri N. Basov, Angel Rubio, Abhay N. Pasupathy
Published in: Proceedings of the National Academy of Sciences, Issue 118/4, 2021, Page(s) e2017366118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2017366118

All-optical generation of antiferromagnetic magnon currents via the magnon circular photogalvanic effect

Author(s): Viñas Boström, E., Parvini, T. S., McIver, J. W., Rubio, A., Kusminskiy, S. V., & Sentef, M. A
Published in: Physical Review B, Issue 104 (10), 2021, Page(s) L100404, ISSN 1098-0121
Publisher: American Physical Society
DOI: 10.1103/physrevb.104.l100404

Ultrafast Light-Induced Lifshitz Transition

Author(s): Beaulieu, S.; Dong, S.; Tancogne-Dejean, N.; Dendzik, M.; Pincelli, T.; Maklar, J.; Xian, R.; Sentef, M.; Wolf, M.; Rubio, A.; Rettig, L.; Ernstorfer, R.
Published in: Science Advances, Issue Vol 7 Issue 17, 2021, ISSN 2375-2548
Publisher: American Association or the Advancement of Science
DOI: 10.1126/sciadv.abd9275

Unravelling the intertwined atomic and bulk nature of localised excitons by attosecond spectroscopy

Author(s): Matteo Lucchini, Shunsuke A. Sato, Giacinto D. Lucarelli, Bruno Moio, Giacomo Inzani, Rocío Borrego-Varillas, Fabio Frassetto, Luca Poletto, Hannes Hübener, Umberto De Giovannini, Angel Rubio, Mauro Nisoli
Published in: Nature Communications, Issue 12/1, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-21345-7

Moiré metrology of energy landscapes in van der Waals heterostructures

Author(s): Dorri Halbertal, Nathan R. Finney, Sai S. Sunku, Alexander Kerelsky, Carmen Rubio-Verdú, Sara Shabani, Lede Xian, Stephen Carr, Shaowen Chen, Charles Zhang, Lei Wang, Derick Gonzalez-Acevedo, Alexander S. McLeod, Daniel Rhodes, Kenji Watanabe, Takashi Taniguchi, Efthimios Kaxiras, Cory R. Dean, James C. Hone, Abhay N. Pasupathy, Dante M. Kennes, Angel Rubio, D. N. Basov
Published in: Nature Communications, Issue 12/1, 2021, Page(s) https://dx.doi.org/10.1038/s41467-020-20428-1, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-20428-1

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Author(s): G. Gatti, A. Crepaldi, M. Puppin, N. Tancogne-Dejean, L. Xian, U. De Giovannini, S. Roth, S. Polishchuk, Ph. Bugnon, A. Magrez, H. Berger, F. Frassetto, L. Poletto, L. Moreschini, S. Moser, A. Bostwick, Eli Rotenberg, A. Rubio, M. Chergui, and M. Grioni
Published in: Physical Review Letters, Issue 125 (7), 2021, Page(s) 076401, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.125.076401

Author Correction: Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions

Author(s): Alexander Riss, Marcus Richter, Alejandro Pérez Paz, Xiao-Ye Wang, Rajesh Raju, Yuanqin He, Jacob Ducke, Eduardo Corral, Michael Wuttke, Knud Seufert, Manuela Garnica, Angel Rubio, Johannes V. Barth, Akimitsu Narita, Klaus Müllen, Reinhard Berger, Xinliang Feng, Carlos-Andres Palma, Willi Auwärter
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-17857-3

Out-of-Plane Transport of 1T-TaS 2 /Graphene-Based van der Waals Heterostructures

Author(s): Carla Boix-Constant, Samuel Mañas-Valero, Rosa Córdoba, José J. Baldoví, Ángel Rubio, Eugenio Coronado
Published in: ACS Nano, Issue 15/7, 2021, Page(s) 11898-11907, ISSN 1936-0851
Publisher: American Chemical Society
DOI: 10.1021/acsnano.1c03012

Publisher Correction: Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics.

Author(s): Tancogne-Dejean, Nicolas; Mücke, Oliver D.; Kärtner, Franz X.; Rubio, Angel
Published in: Nature Communications, Issue 8, 2020, Page(s) 1946 (2017) Cite, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-017-01768-x

Toward Confined Carbyne with Tailored Properties

Author(s): Lei Shi, Ryosuke Senga, Kazu Suenaga, Hiromichi Kataura, Takeshi Saito, Alejandro Pérez Paz, Angel Rubio, Paola Ayala, Thomas Pichler
Published in: Nano Letters, Issue 21/2, 2021, Page(s) 1096-1101, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.0c04482

Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light–matter coupling

Author(s): Christian Schäfer, Florian Buchholz, Markus Penz, Michael Ruggenthaler, Angel Rubio
Published in: Proceedings of the National Academy of Sciences, Issue 118/41, 2021, Page(s) e2110464118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2110464118

Berry curvature engineering by gating two-dimensional antiferromagnets

Author(s): Shiqiao Du, Peizhe Tang, Jiaheng Li, Zuzhang Lin, Yong Xu, Wenhui Duan, Angel Rubio
Published in: Physical Review Research, Issue 2/2, 2020, ISSN 2643-1564
Publisher: American Physical Society
DOI: 10.1103/physrevresearch.2.022025

First-principles modelling for time-resolved ARPES under different pump-probe conditions

Author(s): Umberto De Giovannini, Shunsuke A. Sato, Hannes Hübener, Angel Rubio
Published in: Journal of Electron Spectroscopy and related phenomena, 2021, Page(s) 147152, ISSN 0368-2048
Publisher: Elsevier BV
DOI: 10.1016/j.elspec.2021.147152

High Harmonics and Isolated Attosecond Pulses from Mg O

Author(s): Zahra Nourbakhsh, Nicolas Tancogne-Dejean, Hamed Merdji, Angel Rubio
Published in: Physical Review Applied, Issue 15/1, 2021, ISSN 2331-7019
Publisher: American Physical Society
DOI: 10.1103/physrevapplied.15.014013

Intermolecular interactions in optical cavities: An ab initio QED study

Author(s): Tor S. Haugland, Christian Schäfer, Enrico Ronca, Angel Rubio, Henrik Koch
Published in: The Journal of Chemical Physics, Issue 154/9, 2021, Page(s) 094113, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0039256

Entangled photon assisted multidimensional nonlinear optics of exciton–polaritons

Author(s): Arunangshu Debnath, Angel Rubio
Published in: Journal of Applied Physics, Issue 128/11, 2020, Page(s) 113102, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/5.0012754

Phonoritons as Hybridized Exciton-Photon-Phonon Excitations in a Monolayer h -BN Optical Cavity

Author(s): Simone Latini, Umberto De Giovannini, Edbert J. Sie, Nuh Gedik, Hannes Hübener, Angel Rubio
Published in: Physical Review Letters, Issue 126/22, 2021, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.126.227401

Light-Driven Extremely Nonlinear Bulk Photogalvanic Currents

Author(s): Ofer Neufeld, Nicolas Tancogne-Dejean, Umberto De Giovannini, Hannes Hübener, Angel Rubio
Published in: Physical Review Letters, Issue 127/12, 2021, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.127.126601

Spectroscopic Determination of the Electronic Structure of a Uranium Single-Ion Magnet

Author(s): Joana T. Coutinho, Mauro Perfetti, José J. Baldoví, Maria A. Antunes, Philipp P. Hallmen, Heiko Bamberger, Iris Crassee, Milan Orlita, Manuel Almeida, Joris van Slageren, Laura C. J. Pereira
Published in: Chemistry - A European Journal, Issue 25/7, 2019, Page(s) 1758-1766, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201805090

Ultrafast Real-Time Dynamics of CO Oxidation over an Oxide Photocatalyst

Author(s): Michael Wagstaffe, Lukas Wenthaus, Adrian Dominguez-Castro, Simon Chung, Guilherme Dalla Lana Semione, Steffen Palutke, Giuseppe Mercurio, Siarhei Dziarzhytski, Harald Redlin, Nicolai Klemke, Yudong Yang, Thomas Frauenheim, Adriel Dominguez, Franz Kärtner, Angel Rubio, Wilfried Wurth, Andreas Stierle, Heshmat Noei
Published in: ACS Catalysis, Issue 10/22, 2020, Page(s) 13650-13658, ISSN 2155-5435
Publisher: American Chemical Society
DOI: 10.1021/acscatal.0c04098

Thermoelectric Relations in the Conformal Limit in Dirac and Weyl Semimetals

Author(s): Vicente Arjona, Juan Borge, María A. H. Vozmediano
Published in: Symmetry, Issue 12/5, 2020, Page(s) 814, ISSN 2073-8994
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/sym12050814

The quantum paraelectric phase of SrTiO$_3$ from first principles

Author(s): Shin, Dongbin; Latini, Simone; Schäfer, Christian; Sato, Shunsuke A.; De Giovannini, Umberto; Hübener, Hannes; Rubio, Angel
Published in: Physical Review B, Issue 104 (6), 2021, Page(s) L060103, ISSN 1098-0121
Publisher: American Physical Society
DOI: 10.1103/physrevb.104.l060103

The ferroelectric photo ground state of SrTiO 3 : Cavity materials engineering

Author(s): Simone Latini, Dongbin Shin, Shunsuke A. Sato, Christian Schäfer, Umberto De Giovannini, Hannes Hübener, Angel Rubio
Published in: Proceedings of the National Academy of Sciences, Issue 118/31, 2021, Page(s) e2105618118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2105618118

Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties

Author(s): Dominik Sidler, Christian Schäfer, Michael Ruggenthaler, Angel Rubio
Published in: The Journal of Physical Chemistry Letters, Issue 12/1, 2021, Page(s) 508-516, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.0c03436

Charge-Transfer Plasmon Polaritons at Graphene/α-RuCl 3 Interfaces

Author(s): Daniel J. Rizzo, Bjarke S. Jessen, Zhiyuan Sun, Francesco L. Ruta, Jin Zhang, Jia-Qiang Yan, Lede Xian, Alexander S. McLeod, Michael E. Berkowitz, Kenji Watanabe, Takashi Taniguchi, Stephen E. Nagler, David G. Mandrus, Angel Rubio, Michael M. Fogler, Andrew J. Millis, James C. Hone, Cory R. Dean, D. N. Basov
Published in: Nano Letters, Issue 20,12, 2020, Page(s) 8438-8445, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.0c03466

Giant Exciton Mott Density in Anatase TiO 2

Author(s): Edoardo Baldini, Tania Palmieri, Adriel Dominguez, Angel Rubio, Majed Chergui
Published in: Physical Review Letters, Issue 125/11, 2020, Page(s) 116403, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.125.116403

Conditional wavefunction theory: a unified treatment of molecular structure and nonadiabatic dynamics

Author(s): Albareda Piquer, G.; Lively, K.; Sato, S.; Kelly, A.; Rubio, A.
Published in: Journal of Chemical Theory and Computation, Issue 2021, 17, 12, 2021, Page(s) 7321–7340, ISSN 1549-9626
Publisher: American Physical Society
DOI: 10.1021/acs.jctc.1c00772

Nematicity Arising from a Chiral Superconducting Ground State in Magic-Angle Twisted Bilayer Graphene under In-Plane Magnetic Fields

Author(s): Tao Yu, Dante M. Kennes, Angel Rubio, Michael A. Sentef
Published in: Physical Review Letters, Issue 127, 127001, 2021, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.127.127001

Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor

Author(s): Shichao Yan, Luigi Malavolti, Jacob A. J. Burgess, Andrea Droghetti, Angel Rubio, Sebastian Loth
Published in: Science Advances, Issue 3/5, 2017, Page(s) e1603137, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.1603137

Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe 2

Author(s): L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, R. Ernstorfer
Published in: Physical Review Letters, Issue 119/3, 2017, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.119.036803

Ellipticity dependence of high-harmonic generation in solids: unraveling the interplay between intraband and interband dynamics

Author(s): Tancogne-Dejean, Nicolas; Mücke, Oliver D.; Kärtner, Franz X.; Rubio, Angel
Published in: Nature Communications 8(1), 745 (2017). doi:10.1038/s41467-017-00764-5, Issue 1, 2017, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.3204/PUBDB-2017-11098

Strongly bound excitons in anatase TiO2 single crystals and nanoparticles

Author(s): 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
Published in: Nature Communications, Issue 8/1, 2017, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-017-00016-6

Controlling heat and particle currents in nanodevices by quantum observation

Author(s): Robert Biele, César A. Rodríguez-Rosario, Thomas Frauenheim, Angel Rubio
Published in: npj Quantum Materials, Issue 2/1, 2017, ISSN 2397-4648
Publisher: npj Quantum Materials
DOI: 10.1038/s41535-017-0043-6

Stable monolayer honeycomb-like structures of Ru X 2 ( X = S , Se )

Author(s): Fatih Ersan, Seymur Cahangirov, Gökhan Gökoğlu, Angel Rubio, Ethem Aktürk
Published in: Physical Review B, Issue 94/15, 2016, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/PhysRevB.94.155415

Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties

Author(s): Lede Xian, Alejandro Pérez Paz, Elisabeth Bianco, Pulickel M Ajayan, Angel Rubio
Published in: 2D Materials, Issue 4/4, 2017, Page(s) 041003, ISSN 2053-1583
Publisher: IOP Publishing Ltd
DOI: 10.1088/2053-1583/aa8418

Cavity Born–Oppenheimer Approximation for Correlated Electron–Nuclear-Photon Systems

Author(s): Johannes Flick, Heiko Appel, Michael Ruggenthaler, Angel Rubio
Published in: Journal of Chemical Theory and Computation, Issue 13/4, 2017, Page(s) 1616-1625, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.6b01126

Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids

Author(s): Nicolas Tancogne-Dejean, Oliver D. Mücke, Franz X. Kärtner, Angel Rubio
Published in: Physical Review Letters, Issue 118/8, 2017, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.118.087403

Anomalous anisotropic exciton temperature dependence in rutile TiO 2

Author(s): Edoardo Baldini, Adriel Dominguez, Letizia Chiodo, Evgeniia Sheveleva, Meghdad Yazdi-Rizi, Christian Bernhard, Angel Rubio, Majed Chergui
Published in: Physical Review B, Issue 96/4, 2017, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/physrevb.96.041204

Phonon-driven spin-Floquet magneto-valleytronics in MoS2

Author(s): Dongbin Shin, Hannes Hübener, Umberto De Giovannini, Hosub Jin, Angel Rubio, Noejung Park
Published in: Nature Communications, Issue 9/1, 2018, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-018-02918-5

Atomic-like high-harmonic generation from two-dimensional materials

Author(s): Nicolas Tancogne-Dejean, Angel Rubio
Published in: Science Advances, Issue 4/2, 2018, Page(s) eaao5207, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.aao5207

Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne

Author(s): Lei Shi, Philip Rohringer, Marius Wanko, Angel Rubio, Sören Waßerroth, Stephanie Reich, Sofie Cambré, Wim Wenseleers, Paola Ayala, Thomas Pichler
Published in: Physical Review Materials, Issue 1/7, 2017, ISSN 2475-9953
Publisher: American Physical Society
DOI: 10.1103/PhysRevMaterials.1.075601

Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory

Author(s): Yoshiyuki Miyamoto, Hong Zhang, Xinlu Cheng, Angel Rubio
Published in: Physical Review B, Issue 96/11, 2017, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.96.115451

h -AlN- Mg ( OH ) 2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics

Author(s): C. Bacaksiz, A. Dominguez, A. Rubio, R. T. Senger, H. Sahin
Published in: Physical Review B, Issue 95/7, 2017, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.95.075423

TDDFT-Based Study on the Proton–DNA Collision

Author(s): Rodrigo Seraide, Mario A. Bernal, Gustavo Brunetto, Umberto de Giovannini, Angel Rubio
Published in: The Journal of Physical Chemistry B, Issue 121/30, 2017, Page(s) 7276-7283, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.7b04934

Exact functionals for correlated electron–photon systems

Author(s): Tanja Dimitrov, Johannes Flick, Michael Ruggenthaler, Angel Rubio
Published in: New Journal of Physics, Issue 19/11, 2017, Page(s) 113036, ISSN 1367-2630
Publisher: Institute of Physics Publishing
DOI: 10.1088/1367-2630/aa8f09

Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials

Author(s): Yoshiyuki Miyamoto, Angel Rubio
Published in: Journal of the Physical Society of Japan, Issue 87/4, 2018, Page(s) 041016, ISSN 0031-9015
Publisher: Institute of Pure and Applied Physics
DOI: 10.7566/jpsj.87.041016

Self-consistent DFT + U method for real-space time-dependent density functional theory calculations

Author(s): Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Angel Rubio
Published in: Physical Review B, Issue 96/24, 2017, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.96.245133

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

Author(s): Johannes Flick, Christian Schäfer, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Published in: ACS Photonics, Issue 5/3, 2017, Page(s) 992-1005, ISSN 2330-4022
Publisher: American Chemical Society
DOI: 10.1021/acsphotonics.7b01279

Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials

Author(s): 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
Published in: Nano Research, 2018, Page(s) 1-10, ISSN 1998-0124
Publisher: Tsinghua Univ Press
DOI: 10.1007/s12274-018-2009-9

Phonon Driven Floquet Matter

Author(s): Hannes Hübener, Umberto De Giovannini, Angel Rubio
Published in: Nano Letters, Issue 18/2, 2018, Page(s) 1535-1542, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.7b05391

From a quantum-electrodynamical light–matter description to novel spectroscopies

Author(s): Michael Ruggenthaler, Nicolas Tancogne-Dejean, Johannes Flick, Heiko Appel, Angel Rubio
Published in: Nature Reviews Chemistry, Issue 2/3, 2018, Page(s) 0118, ISSN 2397-3358
Publisher: Springer Nature
DOI: 10.1038/s41570-018-0118

Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation

Author(s): Jacob Ducke, Alexander Riss, Alejandro Pérez Paz, Knud Seufert, Martin Schwarz, Manuela Garnica, Angel Rubio, Willi Auwärter
Published in: ACS Nano, Issue 12/3, 2018, Page(s) 2677-2684, ISSN 1936-0851
Publisher: American Chemical Society
DOI: 10.1021/acsnano.7b08887

Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy

Author(s): Vasil Rokaj, Davis M Welakuh, Michael Ruggenthaler, Angel Rubio
Published in: Journal of Physics B: Atomic, Molecular and Optical Physics, Issue 51/3, 2018, Page(s) 034005, ISSN 0953-4075
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-6455/aa9c99

Large area planar stanene epitaxially grown on Ag(1 1 1)

Author(s): Junji Yuhara, Yuya Fujii, Kazuki Nishino, Naoki Isobe, Masashi Nakatake, Lede Xian, Angel Rubio, Guy Le Lay
Published in: 2D Materials, Issue 5/2, 2018, Page(s) 025002, ISSN 2053-1583
Publisher: IOP Publishing
DOI: 10.1088/2053-1583/aa9ea0

Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture

Author(s): Guillermo Albareda, Ali Abedi, Ivano Tavernelli, Angel Rubio
Published in: Physical Review A, Issue 94/6, 2016, ISSN 2469-9926
Publisher: American Physical Society
DOI: 10.1103/physreva.94.062511

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

Author(s): Philipp Wopperer, Umberto De Giovannini, Angel Rubio
Published in: The European Physical Journal B, Issue 90/3, 2017, ISSN 1434-6028
Publisher: Springer Verlag
DOI: 10.1140/epjb/e2017-70548-3

All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates

Author(s): Gabriel E. Topp, Nicolas Tancogne-Dejean, Alexander F. Kemper, Angel Rubio, Michael A. Sentef
Published in: Nature Communications, Issue 9/1, 2018, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-018-06991-8

Role of intraband transitions in photocarrier generation

Author(s): Shunsuke A. Sato, Matteo Lucchini, Mikhail Volkov, Fabian Schlaepfer, Lukas Gallmann, Ursula Keller, Angel Rubio
Published in: Physical Review B, Issue 98/3, 2018, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/physrevb.98.035202

Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods

Author(s): Adrián Gómez Pueyo, Miguel A. L. Marques, Angel Rubio, Alberto Castro
Published in: Journal of Chemical Theory and Computation, Issue 14/6, 2018, Page(s) 3040-3052, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.8b00197

Kinetic-Energy Density-Functional Theory on a Lattice

Author(s): Iris Theophilou, Florian Buchholz, F. G. Eich, Michael Ruggenthaler, Angel Rubio
Published in: Journal of Chemical Theory and Computation, Issue 14/8, 2018, Page(s) 4072-4087, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.8b00292

Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO 2 Nanoparticles

Author(s): Edoardo Baldini, Tania Palmieri, Adriel Dominguez, Pascal Ruello, Angel Rubio, Majed Chergui
Published in: Nano Letters, Issue 18/8, 2018, Page(s) 5007-5014, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.8b01837

First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

Author(s): Shunsuke A. Sato, Hannes Hübener, Angel Rubio, Umberto De Giovannini
Published in: The European Physical Journal B, Issue 91/6, 2018, ISSN 1434-6028
Publisher: Springer Verlag
DOI: 10.1140/epjb/e2018-90108-7

Light-matter interactions via the exact factorization approach

Author(s): Norah M. Hoffmann, Heiko Appel, Angel Rubio, Neepa T. Maitra
Published in: The European Physical Journal B, Issue 91/8, 2018, ISSN 1434-6028
Publisher: Springer Verlag
DOI: 10.1140/epjb/e2018-90177-6

Ultrafast Modification of Hubbard U in a Strongly Correlated Material: Ab initio High-Harmonic Generation in NiO

Author(s): Nicolas Tancogne-Dejean, Michael A. Sentef, Angel Rubio
Published in: Physical Review Letters, Issue 121/9, 2018, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.121.097402

Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling

Author(s): Christian Schäfer, Michael Ruggenthaler, Angel Rubio
Published in: Physical Review A, Issue 98/4, 2018, ISSN 2469-9926
Publisher: American Physical Society (APS)
DOI: 10.1103/physreva.98.043801

Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity

Author(s): M. A. Sentef, M. Ruggenthaler, A. Rubio
Published in: Science Advances, Issue 4/11, 2018, Page(s) eaau6969, ISSN 2375-2548
Publisher: American Association for the Advancement of Science (AAAS)
DOI: 10.1126/sciadv.aau6969

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

Author(s): Shunsuke A. Sato, Aaron Kelly, Angel Rubio
Published in: Physical Review B, Issue 97/13, 2018, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/PhysRevB.97.134308

Benchmarking nonequilibrium Green’s functions against configuration interaction for time-dependent Auger decay processes

Author(s): Fabio Covito, Enrico Perfetto, Angel Rubio, Gianluca Stefanucci
Published in: The European Physical Journal B, Issue 91/10, 2018, ISSN 1434-6028
Publisher: Springer Verlag
DOI: 10.1140/epjb/e2018-90161-2

Optimal control theory for quantum electrodynamics: an initial state problem

Author(s): Alberto Castro, Heiko Appel, Angel Rubio
Published in: The European Physical Journal B, Issue 92/10, 2019, ISSN 1434-6028
Publisher: Springer Verlag
DOI: 10.1140/epjb/e2019-100263-2

High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response

Author(s): Guillaume Le Breton, Angel Rubio, Nicolas Tancogne-Dejean
Published in: Physical Review B, Issue 98/16, 2018, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevB.98.165308

Nonadiabatic quantum dynamics without potential energy surfaces

Author(s): Guillermo Albareda, Aaron Kelly, Angel Rubio
Published in: Physical Review Materials, Issue 3/2, 2019, ISSN 2475-9953
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevMaterials.3.023803

Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT

Author(s): Johanna I. Fuks, Lionel Lacombe, Søren E. B. Nielsen, Neepa T. Maitra
Published in: Physical Chemistry Chemical Physics, Issue 20/41, 2018, Page(s) 26145-26160, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/C8CP03957G

Transient Charge and Energy Flow in the Wide-Band Limit

Author(s): F. Covito, F. G. Eich, R. Tuovinen, M. A. Sentef, A. Rubio
Published in: Journal of Chemical Theory and Computation, Issue 14/5, 2018, Page(s) 2495-2504, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.8b00077

Polarization-state-resolved high-harmonic spectroscopy of solids

Author(s): N. Klemke, N. Tancogne-Dejean, G. M. Rossi, Y. Yang, F. Scheiba, R. E. Mainz, G. Di Sciacca, A. Rubio, F. X. Kärtner, O. D. Mücke
Published in: Nature Communications, Issue 10/1, 2019, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-019-09328-1

Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study

Author(s): Ilkka Kylänpää, Fulvio Berardi, Esa Räsänen, Pablo García-González, Carlo Andrea Rozzi, Angel Rubio
Published in: New Journal of Physics, Issue 18/8, 2016, Page(s) 083014, ISSN 1367-2630
Publisher: Institute of Physics Publishing
DOI: 10.1088/1367-2630/18/8/083014

Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields

Author(s): Vasil Rokaj, Markus Penz, Michael A. Sentef, Michael Ruggenthaler, Angel Rubio
Published in: Physical Review Letters, Issue 123/4, 2019, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.123.047202

Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes

Author(s): F. Covito, E. Perfetto, A. Rubio, G. Stefanucci
Published in: Physical Review A, Issue 97/6, 2018, ISSN 2469-9926
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevA.97.061401

Orbital magneto-optical response of periodic insulators from first principles

Author(s): Irina V. Lebedeva, David A. Strubbe, Ilya V. Tokatly, Angel Rubio
Published in: npj Computational Materials, Issue 5/1, 2019, ISSN 2057-3960
Publisher: Springer Nature Publishing AG
DOI: 10.1038/s41524-019-0170-7

Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials

Author(s): Shunsuke Sato, Hannes Hübener, Umberto De Giovannini, Angel Rubio
Published in: Applied Sciences, Issue 8/10, 2018, Page(s) 1777, ISSN 2076-3417
Publisher: MPDI
DOI: 10.3390/app8101777

Ab initio simulation of laser-induced water decomposition close to carbon nanotubes

Author(s): Yoshiyuki Miyamoto, Hong Zhang, Xinlu Cheng, Angel Rubio
Published in: Physical Review B, Issue 99/16, 2019, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/physrevb.99.165424

Cavity Control of Excitons in Two-Dimensional Materials

Author(s): Simone Latini, Enrico Ronca, Umberto De Giovannini, Hannes Hübener, Angel Rubio
Published in: Nano Letters, Issue 19/6, 2019, Page(s) 3473-3479, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.9b00183

Attosecond screening dynamics mediated by electron localization in transition metals

Author(s): M. Volkov, S. A. Sato, F. Schlaepfer, L. Kasmi, N. Hartmann, M. Lucchini, L. Gallmann, A. Rubio, U. Keller
Published in: Nature Physics, Issue 15/11, 2019, Page(s) 1145-1149, ISSN 1745-2473
Publisher: Nature Publishing Group
DOI: 10.1038/s41567-019-0602-9

Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics

Author(s): Norah M. Hoffmann, Christian Schäfer, Angel Rubio, Aaron Kelly, Heiko Appel
Published in: Physical Review A, Issue 99/6, 2019, ISSN 2469-9926
Publisher: APS
DOI: 10.1103/physreva.99.063819

Density-Matrix Embedding Theory Study of the One-Dimensional Hubbard–Holstein Model

Author(s): Teresa E. Reinhard, Uliana Mordovina, Claudius Hubig, Joshua S. Kretchmer, Ulrich Schollwöck, Heiko Appel, Michael A. Sentef, Angel Rubio
Published in: Journal of Chemical Theory and Computation, Issue 15/4, 2019, Page(s) 2221-2232, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.8b01116

Light–Matter Response in Nonrelativistic Quantum Electrodynamics

Author(s): Johannes Flick, Davis M. Welakuh, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Published in: ACS Photonics, Issue 6/11, 2019, Page(s) 2757-2778, ISSN 2330-4022
Publisher: American Chemical Society
DOI: 10.1021/acsphotonics.9b00768

Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation

Author(s): 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
Published in: The Journal of Chemical Physics, Issue 150/9, 2019, Page(s) 094702, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5084027

Maximized electron interactions at the magic angle in twisted bilayer graphene

Author(s): 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
Published in: Nature, Issue 572/7767, 2019, Page(s) 95-100, ISSN 0028-0836
Publisher: Nature Publishing Group
DOI: 10.1038/s41586-019-1431-9

Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry

Author(s): Christian Schäfer, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Published in: Proceedings of the National Academy of Sciences, Issue 116/11, 2019, Page(s) 4883-4892, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1814178116

Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor

Author(s): Lede Xian, Dante M. Kennes, Nicolas Tancogne-Dejean, Massimo Altarelli, Angel Rubio
Published in: Nano Letters, Issue 19/8, 2019, Page(s) 4934-4940, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.9b00986

Multiple-orbital effects in laser-induced electron diffraction of aligned molecules

Author(s): Faruk Krečinić, Philipp Wopperer, Biagio Frusteri, Felix Brauße, Jean-Gabriel Brisset, Umberto De Giovannini, Angel Rubio, Arnaud Rouzée, Marc J. J. Vrakking
Published in: Physical Review A, Issue 98/4, 2018, ISSN 2469-9926
Publisher: American Physical Society (APS)
DOI: 10.1103/physreva.98.041401

Reduced Density-Matrix Approach to Strong Matter-Photon Interaction

Author(s): Florian Buchholz, Iris Theophilou, Soeren E. B. Nielsen, Michael Ruggenthaler, Angel Rubio
Published in: ACS Photonics, Issue 6/11, 2019, Page(s) 2694-2711, ISSN 2330-4022
Publisher: American Chemical Society
DOI: 10.1021/acsphotonics.9b00648

Universal optical control of chiral superconductors and Majorana modes

Author(s): M. Claassen, D. M. Kennes, M. Zingl, M. A. Sentef, A. Rubio
Published in: Nature Physics, Issue 15/8, 2019, Page(s) 766-770, ISSN 1745-2473
Publisher: Nature Publishing Group
DOI: 10.1038/s41567-019-0532-6

Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states

Author(s): Dongbin Shin, Shunsuke A. Sato, Hannes Hübener, Umberto De Giovannini, Jeongwoo Kim, Noejung Park, Angel Rubio
Published in: Proceedings of the National Academy of Sciences, Issue 116/10, 2019, Page(s) 4135-4140, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1816904116

Visualizing topological edge states of single and double bilayer Bi supported on multibilayer Bi(111) films

Author(s): Lang Peng, Jing-Jing Xian, Peizhe Tang, Angel Rubio, Shou-Cheng Zhang, Wenhao Zhang, Ying-Shuang Fu
Published in: Physical Review B, Issue 98/24, 2018, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/physrevb.98.245108

A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems

Author(s): Hübener, H.; De Giovannini, U.; Rubio, A.
Published in: Journal of Chemical Theory and Computation 2017, 13 (1), Issue 2, 2016, Page(s) 265–273, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.6b00897

Monitoring electron-photon dressing in WSe<sub>2</sub>

Author(s): Hübener, H.; De Giovannini, U.; Rubio, A.
Published in: Nano Letters 2016, 16 (12), Issue 4, 2016, Page(s) 7993–7998, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.6b04419

Light-induced anomalous Hall effect in massless Dirac fermion systems and topological insulators with dissipation

Author(s): S A Sato, P Tang, M A Sentef, U De Giovannini, H Hübener, A Rubio
Published in: New Journal of Physics, Issue 21/9, 2019, Page(s) 093005, ISSN 1367-2630
Publisher: Institute of Physics Publishing
DOI: 10.1088/1367-2630/ab3acf

Topological Floquet engineering of twisted bilayer graphene

Author(s): Gabriel E. Topp, Gregor Jotzu, James W. McIver, Lede Xian, Angel Rubio, Michael A. Sentef
Published in: Physical Review Research, Issue 1/2, 2019, ISSN 2643-1564
Publisher: APS
DOI: 10.1103/PhysRevResearch.1.023031

Ultrafast transient absorption spectroscopy of the charge-transfer insulator NiO: Beyond the dynamical Franz-Keldysh effect

Author(s): Nicolas Tancogne-Dejean, Michael A. Sentef, Angel Rubio
Published in: Physical Review B, Issue 102/11, 2020, Page(s) 115106, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.102.115106

Force balance approach for advanced approximations in density functional theories

Author(s): Mary-Leena M. Tchenkoue, Markus Penz, Iris Theophilou, Michael Ruggenthaler, Angel Rubio
Published in: The Journal of Chemical Physics, Issue 151/15, 2019, Page(s) 154107, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5123608

Floquet analysis of excitations in materials

Author(s): Umberto De Giovannini, Hannes Hübener
Published in: Journal of Physics: Materials, Issue 3/1, 2020, Page(s) 012001, ISSN 2515-7639
Publisher: IOP
DOI: 10.1088/2515-7639/ab387b

Exact exchange-correlation potential of effectively interacting Kohn-Sham systems

Author(s): Shunsuke A. Sato, Angel Rubio
Published in: Physical Review A, Issue 101/1, 2020, ISSN 2469-9926
Publisher: American Physical Society
DOI: 10.1103/physreva.101.012510

Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials

Author(s): Michael Schüler, Umberto De Giovannini, Hannes Hübener, Angel Rubio, Michael A. Sentef, Philipp Werner
Published in: Science Advances, Issue 6/9, 2020, Page(s) eaay2730, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.aay2730

Microscopic theory for the light-induced anomalous Hall effect in graphene

Author(s): S. A. Sato, J. W. McIver, M. Nuske, P. Tang, G. Jotzu, B. Schulte, H. Hübener, U. De Giovannini, L. Mathey, M. A. Sentef, A. Cavalleri, A. Rubio
Published in: Physical Review B, Issue 99/21, 2019, ISSN 2469-9950
Publisher: APS
DOI: 10.1103/PhysRevB.99.214302

Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations

Author(s): Uliana Mordovina, Teresa E. Reinhard, Iris Theophilou, Heiko Appel, Angel Rubio
Published in: Journal of Chemical Theory and Computation, Issue 15/10, 2019, Page(s) 5209-5220, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.9b00063

Numerical construction of the density-potential mapping

Author(s): Soeren E. B. Nielsen, Michael Ruggenthaler, Robert van Leeuwen
Published in: The European Physical Journal B, Issue 91/10, 2018, ISSN 1434-6028
Publisher: Springer Verlag
DOI: 10.1140/epjb/e2018-90276-4

Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference

Author(s): Norah M. Hoffmann, Christian Schäfer, Niko Säkkinen, Angel Rubio, Heiko Appel, Aaron Kelly
Published in: The Journal of Chemical Physics, Issue 151/24, 2019, Page(s) 244113, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5128076

Non-adiabatic electron dynamics in tunneling junctions: lattice Exchange-Correlation potential

Author(s): Fabio Covito, Angel Rubio, Florian G. Eich
Published in: Journal of Chemical Theory and Computation, 2019, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.9b00893

Polaritonic coupled-cluster theory

Author(s): Uliana Mordovina, Callum Bungey, Heiko Appel, Peter J. Knowles, Angel Rubio, Frederick R. Manby
Published in: Physical Review Research, Issue 2/2, 2020, ISSN 2643-1564
Publisher: American Physical Society
DOI: 10.1103/physrevresearch.2.023262

Parameter-free hybridlike functional based on an extended Hubbard model: DFT + U + V

Author(s): Nicolas Tancogne-Dejean, Angel Rubio
Published in: Physical Review B, Issue 102/15, 2020, ISSN 2469-9950
Publisher: APS
DOI: 10.1103/physrevb.102.155117

Creating stable Floquet–Weyl semimetals by laser-driving of 3D Dirac materials

Author(s): Hannes Hübener, Michael A. Sentef, Umberto De Giovannini, Alexander F. Kemper, Angel Rubio
Published in: Nature Communications, Issue 8, 2017, Page(s) 13940, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/ncomms13940

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

Author(s): Johannes Flick, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Published in: Proceedings of the National Academy of Sciences, Issue 114/12, 2017, Page(s) 3026-3034, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1615509114

Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective

Author(s): Elham Khosravi, Ali Abedi, Angel Rubio, Neepa T. Maitra
Published in: Phys. Chem. Chem. Phys., Issue 19/12, 2017, Page(s) 8269-8281, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/C6CP08539C

Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions

Setting the photoelectron clock through molecular alignment

Author(s): Andrea Trabattoni, Joss Wiese, Umberto De Giovannini, Jean-François Olivieri, Terry Mullins, Jolijn Onvlee, Sang-Kil Son, Biagio Frusteri, Angel Rubio, Sebastian Trippel, Jochen Küpper
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-16270-0

One-dimensional flat bands in twisted bilayer germanium selenide

Author(s): D. M. Kennes, L. Xian, M. Claassen, A. Rubio
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-14947-0

Author(s): Lei Wang, En-Min Shih, Augusto Ghiotto, Lede Xian, Daniel A. Rhodes, Cheng Tan, Martin Claassen, Dante M. Kennes, Yusong Bai, Bumho Kim, Kenji Watanabe, Takashi Taniguchi, Xiaoyang Zhu, James Hone, Angel Rubio, Abhay N. Pasupathy, Cory R. Dean
Published in: Nature Materials, 2020, ISSN 1476-1122
Publisher: Nature Publishing Group
DOI: 10.1038/s41563-020-0708-6

Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals

Author(s): Felipe H. da Jornada, Lede Xian, Angel Rubio, Steven G. Louie
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-14826-8

Electron–phonon-driven three-dimensional metallicity in an insulating cuprate

Author(s): Edoardo Baldini, Michael A. Sentef, Swagata Acharya, Thomas Brumme, Evgeniia Sheveleva, Fryderyk Lyzwa, Ekaterina Pomjakushina, Christian Bernhard, Mark van Schilfgaarde, Fabrizio Carbone, Angel Rubio, Cédric Weber
Published in: Proceedings of the National Academy of Sciences, Issue 117/12, 2020, Page(s) 6409-6416, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1919451117

Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications

Author(s): René Jestädt, Michael Ruggenthaler, Micael J. T. Oliveira, Angel Rubio, Heiko Appel
Published in: Advances in Physics, Issue 68/4, 2019, Page(s) 225-333, ISSN 0001-8732
Publisher: Taylor & Francis
DOI: 10.1080/00018732.2019.1695875

Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation

Author(s): Ilya Piskun, Raymond Blackwell, Joaquim Jornet-Somoza, Fangzhou Zhao, Angel Rubio, Steven G. Louie, Felix R. Fischer
Published in: Journal of the American Chemical Society, Issue 142/8, 2020, Page(s) 3696-3700, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.9b13507

Nature of Symmetry Breaking at the Excitonic Insulator Transition: Ta 2 NiSe

Author(s): Giacomo Mazza, Malte Rösner, Lukas Windgätter, Simone Latini, Hannes Hübener, Andrew J. Millis, Angel Rubio, Antoine Georges
Published in: Physical Review Letters, Issue 124/19, 2020, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.124.197601

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

Author(s): Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade, Heiko Appel, Carlos H. Borca, Guillaume Le Breton, Florian Buchholz, Alberto Castro, Stefano Corni, Alfredo A. Correa, Umberto De Giovannini, Alain Delgado, Florian G. Eich, Johannes Flick, Gabriel Gil, Adrián Gomez, Nicole Helbig, Hannes Hübener, René Jestädt, Joaquim Jornet-Somoza, Ask H. Larsen, Irina V. Lebedeva, Martin Lüder
Published in: The Journal of Chemical Physics, Issue 152/12, 2020, Page(s) 124119, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5142502

Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics

Author(s): Christian Schäfer, Michael Ruggenthaler, Vasil Rokaj, Angel Rubio
Published in: ACS Photonics, Issue 7/4, 2020, Page(s) 975-990, ISSN 2330-4022
Publisher: American Chemical Society
DOI: 10.1021/acsphotonics.9b01649

The spontaneous symmetry breaking in Ta2NiSe5 is structural in nature

Author(s): Edoardo Baldini, Alfred Zong, Dongsung Choi, Changmin Lee, Marios H. Michael, Lukas Windgaetter, Igor I. Mazin, Simone Latini, Doron Azoury, Baiqing Lv, Anshul Kogar, Yao Wang, Yangfan Lu, Tomohiro Takayama, Hidenori Takagi, Andrew J. Millis, Angel Rubio, Eugene Demler, Nuh Gedik
Published in: Nature Materials, 2020, ISSN 1476-1122
Publisher: Nature Publishing Group

Direct Measurement of Electron-Phonon Coupling with Time-Resolved ARPES

Author(s): Umberto De Giovannini, Hannes Hübener, Shunsuke A. Sato, Angel Rubio
Published in: Physical Review Letters, Issue 125/13, 2020, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.125.136401

How Circular Dichroism in Time- and Angle-Resolved Photoemission Can Be Used to Spectroscopically Detect Transient Topological States in Graphene

Author(s): Michael Schüler, Umberto De Giovannini, Hannes Hübener, Angel Rubio, Michael A. Sentef, Thomas P. Devereaux, Philipp Werner
Published in: Physical Review X, Issue 10/4, 2020, ISSN 2160-3308
Publisher: American Physical Society
DOI: 10.1103/physrevx.10.041013

Simulating Vibronic Spectra without Born–Oppenheimer Surfaces

Author(s): Kevin Lively, Guillermo Albareda, Shunsuke A. Sato, Aaron Kelly, Angel Rubio
Published in: The Journal of Physical Chemistry Letters, Issue 12/12, 2021, Page(s) 3074-3081, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.1c00073

Single and double charge transfer in the Ne 2 + + He collision within time-dependent density-funct

Author(s): Wandong Yu, Cong-Zhang Gao, Shunsuke A. Sato, Alberto Castro, Angel Rubio, Baoren Wei
Published in: Physical Review A, Issue 103/3, 2021, ISSN 2469-9926
Publisher: American Physical Society
DOI: 10.1103/physreva.103.032816

Approximations based on density-matrix embedding theory for density-functional theories

Author(s): Iris Theophilou; Teresa E Reinhard; Angel Rubio; Michael Ruggenthaler
Published in: Electronic Structure, Issue 2, 2021, ISSN 2516-1075
Publisher: IOP Publishing
DOI: 10.1088/2516-1075/ac1660

Self-Consistent Potential Correction for Charged Periodic Systems

Author(s): Mauricio Chagas da Silva, Michael Lorke, Bálint Aradi, Meisam Farzalipour Tabriz, Thomas Frauenheim, Angel Rubio, Dario Rocca, Peter Deák
Published in: Physical Review Letters, Issue 126/7, 2021, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.126.076401

Role of intraband dynamics in the generation of circularly polarized high harmonics from solids

Author(s): N. Klemke, O. D. Mücke, A. Rubio, F. X. Kärtner, N. Tancogne-Dejean
Published in: Physical Review B, Issue 102/10, 2020, Page(s) 104308, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.102.104308

Common microscopic origin of the phase transitions in Ta2NiS5 and the excitonic insulator candidate Ta2NiSe5

Author(s): Lukas Windgätter, Malte Rösner, Giacomo Mazza, Hannes Hübener, Antoine Georges, Andrew J. Millis, Simone Latini & Angel Rubio
Published in: npg Computational Materials, Issue 7, 2021, Page(s) 210, ISSN 2057-3960
Publisher: Springer Nature
DOI: 10.1038/s41524-021-00675-6

Vibrational coherent control of localized d–d electronic excitation

Author(s): Alexandre Marciniak, Stefano Marcantoni, Francesca Giusti, Filippo Glerean, Giorgia Sparapassi, Tobia Nova, Andrea Cartella, Simone Latini, Francesco Valiera, Angel Rubio, Jeroen van den Brink, Fabio Benatti, Daniele Fausti
Published in: Nature Physics, 2021, ISSN 1745-2473
Publisher: Nature Publishing Group
DOI: 10.1038/s41567-020-01098-8

Boundary conditions for spin and charge diffusion in the presence of interfacial spin-orbit coupling

Author(s): J. Borge, I. V. Tokatly
Published in: Physical Review B, Issue 99/24, 2019, ISSN 2469-9950
Publisher: APS
DOI: 10.1103/physrevb.99.241401

High-harmonic generation from spin-polarised defects in solids

Author(s): M. S. Mrudul, Nicolas Tancogne-Dejean, Angel Rubio, Gopal Dixit
Published in: npj Computational Materials, Issue 6/1, 2020, ISSN 2057-3960
Publisher: Springer Nature Limited
DOI: 10.1038/s41524-020-0275-z

Role of electron scattering on the high-order harmonic generation from solids

Author(s): Chang-Ming Wang, Nicolas Tancogne-Dejean, Massimo Altarelli, Angel Rubio, Shunsuke A. Sato
Published in: Physical Review Research, Issue 2/3, 2020, ISSN 2643-1564
Publisher: American Physical Society
DOI: 10.1103/physrevresearch.2.033333

Topological phase transitions induced by disorder in magnetically doped ( Bi , Sb ) 2 Te

Author(s): Takuya Okugawa, Peizhe Tang, Angel Rubio, Dante M. Kennes
Published in: Physical Review B, Issue 102/20, 2020, Page(s) 201405 (R), ISSN 2469-9950
Publisher: APS
DOI: 10.1103/physrevb.102.201405

Direct measurement of key exciton properties: Energy, dynamics, and spatial distribution of the wave function

Author(s): Shuo Dong, Michele Puppin, Tommaso Pincelli, Samuel Beaulieu, Dominik Christiansen, Hannes Hübener, Christopher W. Nicholson, Rui Patrick Xian, Maciej Dendzik, Yunpei Deng, Yoav William Windsor, Malte Selig, Ermin Malic, Angel Rubio, Andreas Knorr, Martin Wolf, Laurenz Rettig, Ralph Ernstorfer
Published in: Natural Sciences, 2021, ISSN 2698-6248
Publisher: Natural Sciences Publishing USA
DOI: 10.1002/ntls.10010

Hydrated Alkali Atoms on Copper(111): A Density Functional Theory Study

Author(s): Alejandro Pérez Paz, Angel Rubio
Published in: The Journal of Physical Chemistry C, Issue 125/7, 2021, Page(s) 3868-3879, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.0c10061

Femtosecond exciton dynamics in WSe2 optical waveguides

Author(s): Aaron J. Sternbach, Simone Latini, Sanghoon Chae, Hannes Hübener, Umberto De Giovannini, Yinming Shao, Lin Xiong, Zhiyuan Sun, Norman Shi, Peter Kissin, Guang-Xin Ni, Daniel Rhodes, Brian Kim, Nanfang Yu, Andrew J. Millis, Michael M. Fogler, Peter J. Schuck, Michal Lipson, X.-Y. Zhu, James Hone, Richard D. Averitt, Angel Rubio, D. N. Basov
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-17335-w

Time-Dependent Magnons from First Principles

Author(s): N. Tancogne-Dejean, F. G. Eich, A. Rubio
Published in: Journal of Chemical Theory and Computation, Issue 16/2, 2020, Page(s) 1007-1017, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.9b01064

Quantitative sampling of atomic-scale electromagnetic waveforms

Author(s): D. Peller, C. Roelcke, L. Z. Kastner, T. Buchner, A. Neef, J. Hayes, F. Bonafé, D. Sidler, M. Ruggenthaler, A. Rubio, R. Huber, J. Repp
Published in: Nature Photonics, Issue 15/2, 2021, Page(s) 143-147, ISSN 1749-4885
Publisher: Nature Pub. Group
DOI: 10.1038/s41566-020-00720-8

Effect of Many Modes on Self-Polarization and Photochemical Suppression in Cavities

Author(s): Hoffmann, Norah M.; Lacombe, Lionel; Rubio, Angel; Maitra, Neepa T.
Published in: The Journal of Chemical Physics, Issue 14, 2020, ISSN 1089-7690
Publisher: American Physical Institute
DOI: 10.1063/5.0012723

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

Author(s): Tor S. Haugland, Enrico Ronca, Eirik F. Kjønstad, Angel Rubio, Henrik Koch
Published in: Physical Review X, Issue 10/4, 2020, ISSN 2160-3308
Publisher: American Physical Society
DOI: 10.1103/physrevx.10.041043

Strong chiral dichroism in above threshold ionization and ionization rates from locally-chiral light

Author(s): Ofer Neufeld, Hannes Hübener, Angel Rubio, Umberto De Giovannini
Published in: Physical Review Research, Issue 3, L032006, 2021, ISSN 2643-1564
Publisher: American Physical Society
DOI: 10.1103/physrevresearch.3.l032006

Light-Induced Charge Transfer from Transition-Metal-Doped Aluminum Clusters to Carbon Dioxide

Author(s): Alexandra Göbel, Angel Rubio, Johannes Lischner
Published in: The Journal of Physical Chemistry A, Issue 125/27, 2021, Page(s) 5878-5885, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.1c02621

Floquet dynamics in light-driven solids

Author(s): M. Nuske, L. Broers, B. Schulte, G. Jotzu, S. A. Sato, A. Cavalleri, A. Rubio, J. W. McIver, L. Mathey
Published in: Physical Review Research, Issue 2/4, 2020, ISSN 2643-1564
Publisher: American Physical Society
DOI: 10.1103/physrevresearch.2.043408

Identification of the Mott Insulating Charge Density Wave State in 1 T − Ta S 2

Author(s): Dongbin Shin, Nicolas Tancogne-Dejean, Jin Zhang, Mahmut Sait Okyay, Angel Rubio, Noejung Park
Published in: Physical Review Letters, Issue 126/19, 2021, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.126.196406

Programmable hyperbolic polaritons in van der Waals semiconductors.

Author(s): Aaron Sternbach; Sang Hoon Chae; Simone Latini; A. A. Rikhter; Yinming Shao; Baichang Li; Daniel Rhodes; Brian S. Y. Kim; P. J. Schuck; Xiaodong Xu; Xiaoyang Zhu; Richard D. Averitt; James Hone; Michael M. Fogler; Angel Rubio; Dmitri Basov
Published in: Science, Issue 371 (6529), 2021, Page(s) 617 - 620, ISSN 0036-8075
Publisher: American Association for the Advancement of Science
DOI: 10.1126/science.abe9163

Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation

Author(s): Dominik Sidler, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Published in: The Journal of Physical Chemistry Letters, Issue 11/18, 2020, Page(s) 7525-7530, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.0c01556

Virial Relations for Electrons Coupled to Quantum Field Modes

Author(s): Iris Theophilou, Markus Penz, Michael Ruggenthaler, Angel Rubio
Published in: Journal of Chemical Theory and Computation, Issue 16/10, 2020, Page(s) 6236-6243, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.0c00618

Coherent coupling between vortex bound states and magnetic impurities in 2D layered superconductors.

Author(s): Park, S., Barrena, V., Mañas-Valero, S., Baldovi, J., Fente, A., Herrera, E., Mompeán, F., García-Hernández, M., Rubio, A., Coronado, E., Guillamón, I., Yeyati, A. L., & Suderow, H.
Published in: Nature Communications, Issue 12(1), 2021, Page(s) 4668, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-24531-9

Dual boson diagrammatic Monte Carlo approach applied to the extended Hubbard model

Author(s): M. Vandelli, V. Harkov, E. A. Stepanov, J. Gukelberger, E. Kozik, A. Rubio, A. I. Lichtenstein
Published in: Physical Review B, Issue 102/19, 2020, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.102.195109

Dynamical amplification of electric polarization through nonlinear phononics in 2D SnTe

Author(s): Dongbin Shin, Shunsuke A. Sato, Hannes Hübener, Umberto De Giovannini, Noejung Park, Angel Rubio
Published in: npj Computational Materials, Issue 6/1, 2020, ISSN 2057-3960
Publisher: Nature Publishing Group
DOI: 10.1038/s41524-020-00449-6

A unifying approximation scheme for density functional theories: A force balance based approach

Author(s): M.-L. Tchenkoue Djouom
Published in: 2021
Publisher: Universität Hamburg

Novel Approaches in Quantum Chemistry: Self-Consistent Density-Functional Embeddingand Polaritonic Coupled-Cluster Theory

Author(s): Uliana Mordovina
Published in: 2020
Publisher: Universität Hamburg

On the interface of quantum electrodynamics and electronic structure theory: Cavity QED.

Author(s): Christian Schaefer
Published in: 2020
Publisher: Universität Hamburg

Ab initio Strong Light-Matter Theoretical Framework for Phenomena in Non-relativistic Quantum Electrodynamics

Author(s): D. Welakuh
Published in: 2021
Publisher: Universität Hamburg

An efficient ab-initio non-equilibrium Green's function approach to carrier dynamics in many-body interacting systems

Author(s): Fabio Covito
Published in: 2020
Publisher: University of Hamburg

Exact Maps in Density-Functional Theory

Author(s): T. Dimitrov
Published in: PhD Thesis, Technische Universität Berlin, 2017
Publisher: Technische Universität Berlin

Exact nonadiabatic many-body dynamics: electron-phonon coupling in photoelectron spectroscopy and light-matter interactions in quantum electrodynamical density-functional theory

Author(s): J. Flick
Published in: PhD THesis, Humboldt-Universität zu Berlin, 2016
Publisher: Humboldt-Universität zu Berlin

Density Matrix Embedding Theory: Foundations, Applications and Connection to Functional Theories

Author(s): T. Reinhard
Published in: 2019
Publisher: Universität Hamburg

Fully coupled Maxwell Kohn Sham systems: electromagnetic field propagation in Schrödinger-like form and ab-initio self- consistent light-matter interactions

Author(s): René J. Jestädt
Published in: 2018
Publisher: TU Berlin

Condensed Matter Systems in Cavity Quantum Electrodynamics

Author(s): V. Rokaj
Published in: 2021
Publisher: Universität Hamburg

Many Electrons and the Photon Field: The many-body structure of nonrelativistic quantum electrodynamics

Author(s): F. Buchholz
Published in: 2021
Publisher: Technische Universität Berlin

Construction of a Kohn-Sham Iteration Scheme in Time-Dependent Lattice Density-Functional Theory

Author(s): Benedikt-Sebastian Mehmel
Published in: 2019
Publisher: University of Hamburg

Mixed Quantum-Classical Dynamics in Cavity Quantum Electrodynamics

Author(s): Norah Hoffmann
Published in: 2020
Publisher: Universität Hamburg

Engineering quantum materials with chiral optical cavities

Author(s): Hannes Hübener, Umberto De Giovannini, Christian Schäfer, Johan Andberger, Michael Ruggenthaler, Jerome Faist, Angel Rubio
Published in: Nature Materials, 2020, ISSN 1476-1122
Publisher: Nature Publishing Group
DOI: 10.1038/s41563-020-00801-7

Moiré heterostructures as a condensed-matter quantum simulator

Author(s): Dante M. Kennes, Martin Claassen, Lede Xian, Antoine Georges, Andrew J. Millis, James Hone, Cory R. Dean, D. N. Basov, Abhay N. Pasupathy, Angel Rubio
Published in: Nature Physics, Issue 17/2, 2021, Page(s) 155-163, ISSN 1745-2473
Publisher: Nature Publishing Group
DOI: 10.1038/s41567-020-01154-3

Electronic Structure of Materials by Ab Initio Methods: Overview

Author(s): Angel Rubio
Published in: Handbook of Materials Modeling - Methods: Theory and Modeling, 2018, Page(s) 1-6, ISBN 978-3-319-42913-7
Publisher: Springer International Publishing
DOI: 10.1007/978-3-319-42913-7_90-2

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