Publications: Center for Computational Quantum Physics (CCQ), The Flatiron Institute, New York


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These papers are ordered by article influence.

Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications
René Jestädt, Michael Ruggenthaler, Micael J. T. Oliveira, Angel Rubio, Heiko Appel
Advances In Physics 68. issue 4, 225 - 333 (2020)
Covalent C–N Bond Formation Through a Surface Catalyzed Thermal Cyclodehydrogenation
Ilya Piskun,Raymond Blackwell,Joaquim Jornet-Somoza,Fangzhou Zhao, Angel Rubio,Steven G. Louie, Felix R. Fischer
Journal Of The American Chemical Society 142,8, 3696 - 3700 (2020)
Giant Exciton Mott Density in Anatase TiO2
Edoardo Baldini, Tania Palmieri, Adriel Dominguez, Angel Rubio,, Majed Chergui
Physical Review Letters 125, 116403 (2020)
Direct measurement of electron-phonon coupling with time-resolved ARPES
Umberto De Giovannini, Hannes Hübener, Shunsuke A. Sato, Angel Rubio
Physical Review Letters 125, 136401 (2020)
Nature of Symmetry Breaking at the Excitonic Insulator Transition:Ta2 NiSe5
Giacomo Mazza, Malte Rösner, Lukas Windgätter, Simone Latini, Hannes Hübener, Andrew J. Millis, Angel Rubio, Antoine Geroges
Physical Review Letters 124, 19, 197601 (2020)
Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties
Dominik Sidler, Christian Schäfer, Michael Ruggenthaler, Angel Rubio
Journal Of Physical Chemistry Letters 12, 508 - 516 (2020)
Ultrafast Real-Time Dynamics of CO Oxidation over an Oxide Photocatalyst
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
ACS Catalysis 10,22, 13650 - 13658 (2020)
Polariton panorama
D. N. Basov,Ana Asenjo-Garcia,P. James Schuck,Xiaoyang Zhu, Angel Rubio
Nanophotonics 2021; 10(1), 549 - 577 (2020)
Light-matter hybrid-orbital-based first-principles methods: the influence of the polariton statistics
Florian Buchholz, Iris Theophilou, Klaas J. H. Giesbertz, Michael Ruggenthaler, Angel Rubio
Journal Of Chemical Theory And Computation 16, 9, 5601 - 5620 (2020)
Virial Relations for Electrons Coupled to Quantum Field Modes
Iris Theophilou,Markus Penz,Michael Ruggenthaler, Angel Rubio
Journal Of Chemical Theory And Computation (2020)
Topological Phase Transitions Induced by Disorder in Magnetically Doped (Bi, Sb)2Te3 Thin Films
Takuya Okugawa, Peizhe Tang, Angel Rubio, Dante M. Kennes
Physical Review B 102,20, 201405(R) (2020)
Ultrafast Transient Absorption Spectroscopy of the Charge-Transfer Insulator NiO: Beyond the Dynamical Franz-Keldysh Effect
Nicolas Tancogne-Dejean, Michael A. Sentef, Angel Rubio
Physical Review B 102 ,11, 115106 (2020)
Parameter-free hybrid functional based on an extended Hubbard model: DFT+U+V
Nicolas Tancogne-Dejean, Angel Rubio
Physical Review B 102, 155117 (2020)
Dual Boson Diagrammatic Monte Carlo Approach Applied to the Extended Hubbard Model
M. Vandelli, V. Harkov, E. A. Stepanov, J. Gukelberger, E. Kozik, A. Rubio, A. I. Lichtenstein
Physical Review B 102, 195109 (2020)
Exact exchange-correlation potential of effectively interacting Kohn-Sham systems
Shunsuke A. Sato, Angel Rubio
Physical Review A 101, 012510 (2020)