Publications: FunTheMaS: Fundamental Theoretical Materials Science

Years

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These papers are ordered by article influence.

The spontaneous symmetry breaking in Ta2NiSe5 is structural in nature
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
Nature Materials (submitted), (2020)
Correlated electronic phases in twisted bilayer transition metal dichalcogenides
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
Nature Materials (2020)
Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions
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
Nature Communications 11,1490, (2020)
One-dimensional flat bands in twisted bilayer germanium selenide
D. M. Kennes,L. Xian,M. Claassen, A. Rubio
Nature Communications 11,1124, (2020)
Electron-Phonon-Driven Three-Dimensional Metallicity in an Insulating Cuprate
Edoardo Baldini, Michael A. Sentef, Swagata Acharya, Thomas Brumme, Evgeniia Sheveleva, Fryderyk Lyzwa, Ekaterina Pomjakushina, Christian Bernhard, Mark van Schilfgaarde, Fabrizio Carbone, Angel Rubio, Cedric Weber
Proceedings Of The National Academy Of Sciences Of The United States Of America 117 (12), 6409 - 6416 (2020)
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)
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)
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
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 Lüders, Miguel A. L. Marques, Sebastian T. Ohlmann, Silvio Pipolo, Markus Rampp, Carlo A. Rozzi, David A. Strubbe, Shunsuke A. Sato, Christian Schäfer, Iris Theophilou, Alicia Welden, Angel Rubio
Journal of Chemical Physics 152, 124119 (2020)
Relevance of the quadratic diamagnetic and self-polarization terms in cavity quantum electrodynamics
Christian Schäfer, Michael Ruggenthaler, Vasil Rokaj, Angel Rubio
ACS Photonics 7, 4, 975 - 990 (2020)
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
Tor S. Haugland, Enrico Ronca, Eirik F. Kjønstad, Angel Rubio, Henrik Koch
(submitted), (2020)
Effect of Many Modes on Self-Polarization and Photochemical Suppression in Cavities
Norah M. Hoffmann, Lionel Lacombe, Angel Rubio, Neepa T. Maitra
(submitted), (2020)
Light-induced topological magnons in two-dimensional van der Waals magnets
Emil Viñas Boström, Martin Claassen, James W. McIver, Gregor Jotzu, Angel Rubio, Michael A. Sentef
(submitted), (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
(submitted), (2020)
Parameter-free hybrid functional based on an extended Hubbard model: DFT+U+V
Nicolas Tancogne-Dejean, Angel Rubio
(submitted), (2020)