Publications

Journal Article

Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations

B. Hourahine, M. Berdakin, J. A. Bich, F. Bonafé, C. Camacho, Q. Cui, M. Y. Deshaye, G. Díaz Mirón, S. Ehlert, M. Elstner, T. Frauenheim, N. Goldman, R. A. González León, T. van der Heide, S. Irle, T. Kowalczyk, Kubař T., I. S. Lee, C. R. Lien-Medrano, A. Maryewski, T. Melson, S. K. Min, T. Niehaus, A. M. N. Niklasson, A. Pecchia, K. Reuter, C. G. Sánchez, C. Scheurer, M. A. Sentef, P. V. Stishenko, V. Q. Vuong, B. Aradi

The Journal of Physical Chemistry A 129 (24), 5373–5390 (2025)

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Journal Article

Momentum-resolved fingerprint of Mottness in layer-dimerized Nb₃Br₈

M. Date, F. Petocchi, Y. Yen, J. A. Krieger, B. Pal, V. Hasse, E. C. McFarlane, C. Körner, J. Yoon, M. D. Watson, V. N. Strocov, Y. Xu, I. Kostanovski, M. N. Ali, S. Ju, N. C. Plumb, M. A. Sentef, G. Woltersdorf, M. Schüler, P. Werner, C. Felser, S. S. P. Parkin, N. B. M. Schröter

Nature Communications 16 (1), 4037 (2025)

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Journal Article

Metastable photo-induced superconductivity far above T_c

S. Chattopadhyay, C. Eckhardt, D. M. Kennes, M. A. Sentef, D. Shin, A. Rubio, A. Cavalleri, E. A. Demler, M. Michael

Npj Quantum Materials 10 (1), 34 (2025)

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Journal Article

Cavity electrodynamics of van der Waals heterostructures

G. Kipp, H. Bretscher, B. Schulte, D. Herrmann, K. Kusyak, M. Day, S. Kesavan, T. Matsuyama, X. Li, S. M. Langner, J. Hagelstein, F. Sturm, A. Potts, C. Eckhardt, Y. Huang, K. Watanabe, T. Taniguchi, A. Rubio, D. M. Kennes, M. A. Sentef, E. Baudin, G. Meier, M. Michael, J. W. McIver

Nature Physics (2025)

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Journal Article

Optical pumping of electronic quantum Hall states with vortex light

D. Session, M. J. Mehrabad, N. Paithanker, T. Grass, C. Eckhardt, B. Cao, D. G. S. Forero, K. Li, M. S. Alam, G. S. Solomon, N. Schine, J. Sau, R. Sordan, M. Hafezi

Nature Photonics 19 (2), 156–161 (2025)

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2024

Journal Article

Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors

G. D. Mirón, C. R. Lien-Medrano, D. Banerjee, M. Monti, B. Aradi, M. A. Sentef, T. A. Niehaus, A. Hassanali

Journal of Chemical Theory and Computation 20 (23), 10602–10614 (2024)

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Journal Article

Theories for charge-driven nematicity in kagome metals

F. Grandi, M. A. Sentef, D. M. Kennes, R. Thomale

Physical Review B 110 (24), 245138 (2024)

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Journal Article

Giant chiral magnetoelectric oscillations in a van der Waals multiferroic

F. Y. Gao, X. Peng, X. Cheng, E. Viñas Boström, D. S. Kim, R. K. Jain, D. Vishnu, K. Raju, R. Sankar, S.-F. Lee, M. A. Sentef, T. Kurumaji, X. Li, P. Tang, A. Rubio, E. Baldini

Nature 632 (8024), 273–279 (2024)

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Journal Article

Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method

G. D. Mirón, C. R. Lien-Medrano, D. Banerjee, U. N. Morzan, M. A. Sentef, R. Gebauer, A. Hassanali

Journal of Chemical Theory and Computation 20 (9), 3864–3878 (2024)

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Journal Article

Theory of resonantly enhanced photo-induced superconductivity

C. Eckhardt, S. Chattopadhyay, D. M. Kennes, E. A. Demler, M. A. Sentef, M. Michael

Nature Communications 15 (1), 2300 (2024)

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Journal Article

Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials

A. Schobert, J. Berges, E. G. C. P. van Loon, M. A. Sentef, S. Brener, M. Rossi, T. O. Wehling

SciPost Physics 16, 046 (2024)

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2023

Journal Article

A functional-analysis derivation of the parquet equation

C. Eckhardt, P. Kappl, A. Kauch, K. Held

SciPost Physics 15 (5), 203 (2023)

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Journal Article

Edge and corner skin effects of chirally coupled magnons characterized by a topological winding tuple

C. Cai, D. M. Kennes, M. A. Sentef, T. Yu

Physical Review B 108 (17), 174421 (2023)

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Journal Article

Can Neural Quantum States Learn Volume-Law Ground States?

G. Passetti, D. Hofmann, P. Neitemeier, L. Grunwald, M. A. Sentef, D. M. Kennes

Physical Review Letters 131 (3), 036502 (2023)

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Journal Article

Cavity Light-Matter Entanglement through Quantum Fluctuations

G. Passetti, C. Eckhardt, M. A. Sentef, D. M. Kennes

Physical Review Letters 131 (2), 023601 (2023)

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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)

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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)

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