MPSD Publications

2025

Journal Article

Lattice-decoupled rotatable stripe-like charge order within the strange metal phase of 2M-WS₂

K. Xiao, Y. Guo, D. Fu, Y. Fang, Y. Hu, J. Yan, Y. Peng, Y. Wang, Y. Ju, P. Tang, X. Wan, F. Huang, Q.-K. Xue, W. Li

Proceedings of the National Academy of Sciences of the United States of America 122 (48), e2513493122 (2025)

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Journal Article

Binding mode of Isoxazolyl Penicillins to a Class-A β-lactamase at ambient conditions

G. Gore, A. Prester, D. von Stetten, K. Bartels, E.-C. Schulz

Communications Chemistry 8 (1), 387 (2025)

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Journal Article

Relativistic Mott transition in twisted WSe₂ tetralayers

L. Ma, R. Chaturvedi, P. X. Nguyen, K. Watanabe, T. Taniguchi, K. F. Mak, J. Shan

Nature Materials 24 (12), 1935–1941 (2025)

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Journal Article

Vibrational spectra of materials and molecules from partially adiabatic elevated-temperature centroid molecular dynamics

J. Castro, G. Trenins, V. Kapil, M. Rossi

The Journal of Chemical Physics 163 (20), 204102 (2025)

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Journal Article

Density-functional tight binding meets Maxwell: unraveling the mysteries of (strong) light–matter coupling efficiently

D. Sidler, C. Bustamante, F. Bonafé, M. Ruggenthaler, M. Sukharev, A. Rubio

Nanophotonics (2025)

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Journal Article

Dimensionality of the reinforced superconductivity in UTe₂

L. Zhang, C. Guo, D. Graf, C. Putzke, M. M. Bordelon, E. D. Bauer, S. M. Thomas, F. Ronning, P. F. S. Rosa, P. J. W. Moll

Nature Communications 16 (1), 10308 (2025)

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Journal Article

Photoinduced twist and untwist of moiré superlattices

C. J. R. Duncan, A. C. Johnson, I. Maity, A. Rubio, M. Gordon, A. C. Bartnik, M. Kaemingk, W. H. Li, M. B. Andorf, C. A. Pennington, I. V. Bazarov, M. W. Tate, D. A. Muller, J. Thom-Levy, S. M. Gruner, A. M. Lindenberg, F. Liu, J. M. Maxson

Nature 647 (8090), 619–624 (2025)

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Journal Article

Spitrobot-2 advances time-resolved cryo-trapping crystallography to under 25 ms

M. Spiliopoulou, C. E. Hatton, M. Kollewe, J.-P. Leimkohl, H. Schikora, F. Tellkamp, P. Mehrabi, E.-C. Schulz

Communications Chemistry 8 (1), 363 (2025)

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Journal Article

Demonstration of Advanced Timing Schemes in Time-Resolved X-ray Diffraction Measurements

D. Schmidt, D. von Stetten, M. Agthe, D. Hensel, A. R. Pearson, G. S. Beddard, B. A. Yorke, F. Tellkamp, P. Gaal

ACS Omega 10 (47), 57703–57710 (2025)

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Journal Article

Electrical Step-Edge Contact to a Topological Superconductor Candidate 2M-WS₂

Q. Gan, J. Song, H. Guo, Y. Fang, X. Li, H. Gao, Y. Li, D. An, Y. Zhu, Y. He, K. Watanabe, T. Taniguchi, Y. Guo, Q. Zhang, L. Gu, D. A. Rhodes, Z. Liu, L. D. Xian, F. Huang, L. Wang

Advanced Science (2025)

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Journal Article

Elucidating the reaction kernel and probing the effect of anharmonicity in the ring-closing reaction of fulgide single crystals

S. Mitra, M. Zhang, S. Bittmann, J. Cai, X. Dong, R. S. Murphy, Z. Li, R. J. D. Miller

Chemical Science 16 (41), 19118–19129 (2025)

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Journal Article

Effective equilibrium theory of quantum light-matter interaction in cavities for extended systems and the long wavelength approximation

M. K. Svendsen, M. Ruggenthaler, H. Hübener, C. Schäfer, M. Eckstein, A. Rubio, S. Latini

Communications Physics 8 (1), 425 (2025)

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Journal Article

Many-body interference in kagome crystals

C. Guo, K. Wang, L. Zhang, C. Putzke, D. Chen, M. R. van Delft, S. Wiedmann, F. F. Balakirev, R. D. McDonald, M. Gutierrez-Amigo, M. Alkorta, I. Errea, M. G. Vergniory, T. Oka, R. Moessner, M. H. Fischer, T. Neupert, C. Felser, P. J. W. Moll

Nature 647 (8088), 68–73 (2025)

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Journal Article

Quantum interference and occupation control in high harmonic generation from monolayer WS₂

M. Kim, T. Kim, A. Galler, D. Kim, A. Chacon, X. Gong, Y. Yang, R. Fang, K. Watanabe, T. Taniguchi, B. J. Kim, S. H. Chae, M.-H. Jo, A. Rubio, O. Neufeld, J. Kim

Nature Communications 16 (1), 9825 (2025)

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Journal Article

Non-van der Waals superlattices of carbides and carbonitrides

Q. Zhao, Z. Du, K. Si, Z. Xu, Z. Wang, Q. Zhu, Y. Ye, X. Wu, G. Wang, G. Gao, Y. Gong, L. Song, P. Tang, S. Yang

Nature 647 (8088), 80–85 (2025)

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Journal Article

Polaritonic quantum matter

D. N. Basov, A. Asenjo-Garcia, P. J. Schuck, X. Zhu, A. Rubio, A. Cavalleri, M. Delor, M. M. Fogler, M. Liu

Nanophotonics 14 (23), 3723–3760 (2025)

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Journal Article

Fractional quantization in insulators from Hall to Chern

B. A. Bernevig, L. Fu, L. Ju, A. H. MacDonald, K. F. Mak, J. Shan

Nature Physics 21 (11), 1702–1713 (2025)

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Journal Article

Discretization anisotropy in finite difference micromagnetic simulations

S. Holt, A. Petrocchi, M. Lang, S. A. Pathak, H. Fangohr

IEEE Transactions on Magnetics 61 (11), 7200905 (2025)

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Journal Article

Direct bonding and debonding of two-dimensional semiconductors

J. Liu, J. Zhao, T. Li, D. Ji, L. Dai, L. Li, Z. Wei, J. Li, Q. Wang, H. Yu, L. Zhou, Y. Chen, F. Wu, M. Zhu, H. Sun, Y. Li, S. Zhang, J. Tian, X. Zhang, N. Lu, X. Bai, Z. Cao, S. Lin, S. Wang, D. Shi, N. Li, L. Du, W. Yang, L. D. Xian, G. Zhang

Nature Electronics 8 (11), 1038–1045 (2025)

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Journal Article

Cavity-mediated electron-electron interactions: Renormalizing Dirac states in graphene

H. Liu, F. Troisi, H. Hübener, S. Latini, A. Rubio

Science Advances 11 (43), eadz1855 (2025)

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Journal Article

Accurate machine learning interatomic potentials for polyacene molecular crystals: application to single molecule host-guest systems

B. Gurlek, S. Sharma, P. Lazzaroni, A. Rubio, M. Rossi

Npj Computational Materials 11 (1), 318 (2025)

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Journal Article

Hierarchical Structure Control and Unconventional Thermal Response of Excitonic Emission in a Superatomic Semiconductor

Z. Li, Z. Xu, L. Ao, P. Chen, Q. Sun, H. Ding, Z. Wang, S. Duan, X. Bi, L. Zhou, Q. Li, C.-S. Ong, P. Tang, H. Yuan

Advanced Functional Materials (2025)

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Journal Article

Electronic decoherence along a single nuclear trajectory

M. W.-Y. Tu, E. K. U. Gross

Physical Review Research 7 (4), 043075 (2025)

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Journal Article

Tailoring the Normal and Superconducting State Properties of Ternary Scandium Tellurides, Sc₆MTe₂ (M = Fe, Ru, and Ir) Through Chemical Substitution

J. N. Graham, K. Yuchi, V. Sazgari, A. Doll, C. Hillis Mielke III, P. Král, O. Gerguri, S. S. Islam, V. Pomjakushin, M. L. Medarde, H. Luetkens, Y. Okamoto, Z. Guguchia

Advanced Functional Materials 35 (42), 2505517 (2025)

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Journal Article

Molecular Polariton Dynamics in Realistic Cavities

C. Bustamante, F. Bonafé, M. Sukharev, M. Ruggenthaler, A. Nitzan, A. Rubio

Journal of Chemical Theory and Computation 21 (19), 9823–9831 (2025)

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Journal Article

Electric-field driven nuclear dynamics of liquids and solids from a multi-valued machine-learned dipolar model

E. Stocco, C. Carbogno, M. Rossi

Npj Computational Materials 11 (1), 304 (2025)

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Journal Article

Surface-Mediated Ultrastrong Cavity Coupling of Two-Dimensional Itinerant Electrons

C. Eckhardt, A. Grankin, D. M. Kennes, M. Ruggenthaler, A. Rubio, M. A. Sentef, M. Hafezi, M. Michael

Physical Review Letters 135 (15), 156902 (2025)

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Journal Article

Photo-induced nonvolatile rewritable ferroaxial switching

Z. Zeng, M. Först, M. Fechner, D. Prabhakaran, P. G. Radaelli, A. Cavalleri

Science 390 (6769), 195–198 (2025)

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Journal Article

Bosonic entanglement and quantum sensing from energy transfer in two-tone Floquet systems

Y. Chen, A. Elben, A. Rubio, G. Refael

Physical Review Research 7 (4), 043014 (2025)

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Journal Article

Linear-response quantum-electrodynamical density functional theory based on two-component X2C Hamiltonians

L. Konecny, V. Kosheleva, M. Ruggenthaler, M. Repisky, A. Rubio

APL Computational Physics 1 (2), 026102 (2025)

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Journal Article

Enhanced Coherent Terahertz Emission from Critical Superconducting Fluctuations in YBa₂Cu₃O_6.6

D. Nicoletti, M. Rosenberg, M. Buzzi, M. Fechner, Y. Liu, S. Nakata, B. Keimer, R. A. Vitalone, D. N. Basov, P. E. Dolgirev, E. Demler, M. Michael, A. Cavalleri

Physical Review X 15 (4), 041036 (2025)

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Journal Article

Molecular Plasmonic Cavities

D. J. Rizzo, M. Riehs, H. Liu, D. Shin, T. Taniguchi, K. Watanabe, A. Rubio, A. Velian, D. N. Basov

Nano Letters 25 (38), 14043–14050 (2025)

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Journal Article

Light-Matter Correlation Energy Functional of the Cavity-Coupled Two-Dimensional Electron Gas via Quantum Monte Carlo Simulations

L. Weber, M. A. Morales, J. Flick, S. Zhang, A. Rubio

Physical Review Letters 135 (12), 126901 (2025)

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Journal Article

Defects-Induced Linear Dichroism in Anisotropic Layered SiP₂

X. Liu, Z. Li, Y. Qi, Y. Lu, J. Huang, H. Gou, H. Yuan, L. Zhou, P. Tang

Advanced Optical Materials 13 (31), e02440 (2025)

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Journal Article

Energy–time ptychography for one-dimensional phase retrieval

A. Negi, L. M. Lohse, S. Velten, I. Sergeev, O. Leupold, S. Sadashivaiah, D. Bessas, A. Chumakhov, C. Brandt, L. Bocklage, G. Meier, R. Röhlsberger

Optica 12 (9), 1529–1538 (2025)

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Journal Article

Bulk photogalvanic current control and gap spectroscopy in 2D hexagonal materials

A. Galler, O. Neufeld

Journal of Materials Chemistry C 13 (34), 17893–17901 (2025)

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Journal Article

Sparse optimization of two-dimensional terahertz spectroscopy

Z. Wang, H. Da, A. S. Disa, T. Pullerits, A. Liu, F. Schlawin

APL Photonics 10 (9), 096107 (2025)

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Journal Article

Probing complex decoherence processes in materials for quantum applications

A. Liu, M. Day, S. T. Cundiff

Applied Physics Letters 127 (10), 100501 (2025)

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Journal Article

Hexagonal ice density dependence on interatomic distance changes due to nuclear quantum effects

L. T. S. de Miranda, M. S. Gomes-Filho, M. Rossi, L. S. Pedroza, A. Rocha

The Journal of Chemical Physics 163 (9), 094503 (2025)

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Journal Article

Dynamic control of electron correlations in photodoped charge-transfer insulators

T. C. Rossi, N. Tancogne-Dejean, M. Oppermann, M. Porer, A. Magrez, R. V. Chopdekar, Y. Takamura, U. Staub, R. M. van der Veen, A. Rubio, M. Chergui

Science Advances 11 (36), eadx5676 (2025)

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Journal Article

Attosecond virtual charge dynamics in dielectrics

G. L. Dolso, S. Sato, G. Inzani, N. Di Palo, B. Moio, R. Borrego-Varillas, M. Nisoli, M. Lucchini

Nature Photonics 19 (9), 999–1005 (2025)

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Journal Article

Constrained search in imaginary time

M. Penz, R. van Leeuwen

Physical Review A 112 (3), 032815 (2025)

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Journal Article

Light-Induced Persistent Electronic Chirality in Achiral Molecules Probed with Time-Resolved Electronic Circular Dichroism Spectroscopy

T. Moitra, L. Konecny, M. Kadek, O. Neufeld, A. Rubio, M. Repisky

The Journal of Physical Chemistry Letters 16 (35), 9210–9216 (2025)

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Journal Article

X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency

M. Repisky, S. Komorovsky, L. Konecny, M. Kadek, T. Moitra, M. Joosten, D. Misenkova, R. Vikhamar-Sandberg, M. Kaupp, K. Ruud, O. L. Malkina, V. G. Malkin

The Journal of Physical Chemistry A 129 (34), 7980–7998 (2025)

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Journal Article

Attosecond All-Optical Retrieval of Valley Polarization via Circular Dichroism in Transient Absorption

W. Li, X. Zhu, P. Lan, K. Wang, W. He, H. Hübener, U. de Giovannini, P. Lu

Physical Review Letters 135 (8), 086404 (2025)

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Journal Article

Floquet optical selection rules in black phosphorus

B. Fan, U. de Giovannini, H. Hübener, S. Zhou, W. Duan, A. Rubio, P. Tang

Science Advances 11 (34), eadw2744 (2025)

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Journal Article

SPRING, an effective and reliable framework for image reconstruction in single-particle Coherent Diffraction Imaging

A. Colombo, M. Sauppe, A. A. Haddad, K. Ayyer, M. Babayan, R. Boll, R. Dagar, S. Dold, T. Fennel, L. Hecht, G. Knopp, K. Kolatzki, B. Langbehn, F. Maia, A. Mall, P. Mazumder, T. Mazza, Y. Ovcharenko, I. C. Polat, D. Raiser, J. C. Schäfer-Zimmermann, K. Schnorr, M. L. Schubert, A. Sehati, J. A. Sellberg, B. Senfftleben, Z. Shen, Z. Sun, P. H. W. Svensson, P. Tümmler, S. Usenko, C. F. Ussling, O. Veteläinen, S. Wächter, N. Walsh, A. V. Weitnauer, T. You, M. Zuod, M. Meyer, C. Bostedt, D. E. Galli, M. Patanen, D. Rupp

Npj Computational Materials 11 (1), 265 (2025)

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Journal Article

Equilibrium nonlinear phononics by electric field fluctuations of terahertz cavities

E. Viñas Boström, M. Michael, C. Eckhardt, A. Rubio

Physical Review Research 7 (3), 033163 (2025)

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