Publications

Publications

Journal Article (547)

2023
Journal Article
Computational study on the catalytic control of endo/exo Diels-Alder reactions by cavity quantum vacuum fluctuations
F. Pavošević, R. L. Smith, A. Rubio
Nature Communications 14 (1), 2766 (2023)
Journal Article
Density of Avoided Crossings and Diabatic Representation
A. Obzhirov, E. J. Heller
Entropy 25 (5), 751 (2023)
Journal Article
Floquet-Bloch resonances in near-petahertz electroabsorption spectroscopy of SiO2
M. Volkov, S. Sato, A. Niedermayr, A. Rubio, L. Gallmann, U. Keller
Physical Review B 107 (18), 184304 (2023)
Journal Article
Floquet band engineering in action
Science Bulletin 68 (8), 751–752 (2023)
Journal Article
Build-up and dephasing of Floquet–Bloch bands on subcycle timescales
S. Ito, M. Schüler, M. Meierhofer, S. Schlauderer, J. Freudenstein, J. Reimann, D. Afanasiev, K. A. Kokh, O. E. Tereshchenko, J. Güdde, M. A. Sentef, U. Höfer, R. Huber
Nature 616 (7958), 696–701 (2023)
Journal Article
Floquet engineering with quantum optimal control theory
New Journal of Physics 25 (4), 043023 (2023)
Journal Article
The spontaneous symmetry breaking in Ta2NiSe5 is structural in nature
E. Baldini, A. Zong, D. Choi, C. Lee, M. H. Michael, L. Windgätter, I. I. Mazin, S. Latini, D. Azoury, B. Lv, A. Kogar, Y. Su, Y. Wang, Y. Lu, T. Takayama, H. Takagi, A. J. Millis, A. Rubio, E. Demler, N. Gedik
Proceedings of the National Academy of Sciences of the United States of America 120 (17), e2221688120 (2023)
Journal Article
Extended regime of metastable metallic and insulating phases in a two-orbital electronic system
M. Vandelli, J. Kaufmann, V. Harkov, A. I. Lichtenstein, K. Held, E. A. Stepanov
Physical Review Research 5 (2), L022016 (2023)
Journal Article
The Laplace Method for Energy Eigenvalue Problems in Quantum Mechanics
J. Canfield, A. Galler, J. K. Freericks
Quantum Reports 5 (2), 370–397 (2023)
Journal Article
Theory of nematic charge orders in kagome metals
F. Grandi, A. Consiglio, M. A. Sentef, R. Thomale, D. M. Kennes
Physical Review B 107 (15), 155131 (2023)
Journal Article
Constructing semilocal approximations for noncollinear spin density functional theory featuring exchange-correlation torques
Physical Review B 107 (16), 165111 (2023)
Journal Article
Multiscale dynamical symmetries and selection rules in nonlinear optics
G. Lerner, O. Neufeld, L. Hareli, G. Shoulga, E. Bordo, A. Fleischer, D. Podolsky, A. Bahabad, O. Cohen
Science Advances 9 (15), eade0953 (2023)
Journal Article
Floquet Engineering of Magnetism in Topological Insulator Thin Films
Electronic Structure 5 (2), 024002 (2023)
Journal Article
Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers
M. Rossmannek, F. Pavošević, A. Rubio, I. Tavernelli
The Journal of Physical Chemistry Letters 14 (14), 3491–3497 (2023)
Journal Article
Ultrafast electron localization and screening in a transition metal dichalcogenide
Z. Schumacher, S. Sato, S. Neb, A. Niedermayr, L. Gallmann, A. Rubio, U. Keller
Proceedings of the National Academy of Sciences of the United States of America 120 (15), e2221725120 (2023)
Journal Article
The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory
M. Penz, E. I. Tellgren, M. A. Csirik, M. Ruggenthaler, A. Laestadius
ACS Physical Chemistry Au (2023)
Journal Article
Electronic Descriptors for Supervised Spectroscopic Predictions
C. M. de Armas-Morejón, L. A. Montero-Cabrera, A. Rubio, J. Jornet-Somoza
Journal of Chemical Theory and Computation 19 (6), 1818–1826 (2023)
Journal Article
Attosecond magnetization dynamics in non-magnetic materials driven by intense femtosecond lasers
Npj Computational Materials 9 (1), 39 (2023)
Journal Article
Rashba spin-orbit coupling in the square-lattice Hubbard model: A truncated-unity functional renormalization group study
J. Beyer, J. Hauck, L. Klebl, T. Schwemmer, D. M. Kennes, R. Thomale, C. Honerkamp, S. Rachel
Physical Review B 107 (12), 125115 (2023)
Journal Article
Eliminating Artificial Boundary Conditions in Time-Dependent Density Functional Theory Using Fourier Contour Deformation
J. Kaye, A. Barnett, L. Greengard, U. de Giovannini, A. Rubio
Journal of Chemical Theory and Computation 19 (5), 1409–1420 (2023)
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