Publications

Journal Article

Periodic GFN1-xTB Tight Binding: A Generalized Ewald Partitioning Scheme for the Klopman–Ohno Function

A. Buccheri, R. Li, J. E. Deustua, S. M. Moosavi, P. J. Bygrave, F. R. Manby

Journal of Chemical Theory and Computation 21 (4), 1615–1625 (2025)

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Journal Article

Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model

M. Rossi, K. Rossi, A. M. Lewis, M. Salanne, A. Grisafi

The Journal of Physical Chemistry Letters 16 (9), 2326–2332 (2025)

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Journal Article

Engineering anisotropic electrodynamics at the graphene/CrSBr interface

D. J. Rizzo, E. Seewald, F. Zhao, J. Cox, K. Xie, R. A. Vitalone, F. L. Ruta, D. G. Chica, Y. Shao, S. Shabani, E. J. Telford, M. C. Strasbourg, T. P. Darlington, S. Xu, S. Qiu, A. Devarakonda, T. Taniguchi, K. Watanabe, X. Zhu, P. J. Schuck, C. R. Dean, X. Roy, A. J. Millis, T. Cao, A. Rubio, A. N. Pasupathy, D. N. Basov

Nature Communications 16 (1), 1853 (2025)

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Journal Article

Super-Resolution Imaging of Nanoscale Inhomogeneities in hBN-Covered and Encapsulated Few-Layer Graphene

L. Jäckering, K. G. Wirth, L. Conrads, J. B. Profe, A. Rothstein, H. Kyoseva, K. Watanabe, T. Taniguchi, D. M. Kennes, C. Stampfer, L. Waldecker, T. Taubner

Advanced Science (2025)

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Journal Article

Correlation-driven attosecond photoemission delay in the plasmonic excitation of C₆₀ fullerene

S. Biswas, A. Trabattoni, P. Rupp, M. Magrakvelidze, M. E.-A. Madjet, U. de Giovannini, M. C. Castrovilli, M. Galli, Q. Liu, E. P. Månsson, J. Schötz, V. Wanie, P. Wnuk, L. Colaizzi, D. Mocci, M. Reduzzi, M. Lucchini, M. Nisoli, A. Rubio, H. S. Chakraborty, M. F. Kling, F. Calegari

Science Advances 11 (7), eads0494 (2025)

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Journal Article

Nonadiabatic Dynamics with the Mapping Approach to Surface Hopping (MASH)

J. O. Richardson, J. E. Lawrence, J. Mannouch

Annual Review of Physical Chemistry (2025)

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Journal Article

Floquet-Volkov interference in a semiconductor

C. Bao, H. Zhong, B. Fan, X. Cai, F. Wang, S. Zhou, T. Lin, H. Zhang, P. Yu, P. Tang, W. Duan, S. Zhou

Physical Review B 111 (8), L081106 (2025)

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Journal Article

Carlo.jl: A general framework for Monte Carlo simulations in Julia

L. Weber

SciPost Physics Codebases, 49 (2025)

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Journal Article

Full minimal coupling Maxwell-TDDFT: An ab initio framework for light-matter interaction beyond the dipole approximation

F. Bonafé, E. I. Albar, S. T. Ohlmann, V. Kosheleva, C. Bustamante, F. Troisi, A. Rubio, H. Appel

Physical Review B 111 (8), 085114 (2025)

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Journal Article

Stripe charge order and its interaction with Majorana bound states in 2M-WS₂ topological superconductor

X. Fan, X. Sun, P. Zhu, Y. Fang, Y. Ju, Y. Yuan, F. Huang, T. L. Hughes, P. Tang, Q.-K. Xue, W. Li

National Science Review 12 (2), nwae312 (2025)

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Journal Article

Valley charge-transfer insulator in twisted double bilayer WSe₂

L. Wei, Q. Li, M. U. Rehman, Y. He, D. An, S. Li, K. Watanabe, T. Taniguchi, M. Claassen, K. S. Novoselov, D. M. Kennes, A. Rubio, D. A. Rhodes, L. D. Xian, G. Yu, L. Wang

Nature Communications 16 (1), 1185 (2025)

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Journal Article

Nonperturbative mass renormalization effects in nonrelativistic quantum electrodynamics

D. Welakuh, V. Rokaj, M. Ruggenthaler, A. Rubio

Physical Review Research 7 (1), 013093 (2025)

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Journal Article

Twist-Angle-Dependent Valley Polarization of Intralayer Moiré Excitons in van der Waals Superlattices

R. Wang, K. Chang, W. Duan, Y. Xu, P. Tang

Physical Review Letters 134 (2), 026904 (2025)

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Journal Article

Quantum Electrodynamics in High-Harmonic Generation: Multitrajectory Ehrenfest and Exact Quantum Analysis

S. de la Pena, O. Neufeld, M. E. Tzur, O. Cohen, H. Appel, A. Rubio

Journal of Chemical Theory and Computation 21 (1), 283–290 (2025)

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Journal Article

Frozen non-equilibrium dynamics of exciton Mott insulators in moiré superlattices

S. Deng, H. Park, J. Reimann, J. M. Peterson, D. D. Blach, M.-J. Sun, T. Yan, D. Sun, T. Taniguchi, K. Watanabe, X. Xu, D. M. Kennes, L. Huang

Nature Materials (2025)

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Journal Article

2D Covalent Moiré Superlattice from Fluorinating Twisted Bilayer Graphene

D. Ji, Q. Xu, L. D. Xian

Advanced Functional Materials (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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Journal Article

Phaseless Auxiliary-Field Quantum Monte Carlo Method for Cavity-QED Matter Systems

L. Weber, L. d. A. Cunha, M. A. Morales, A. Rubio, S. Zhang

Journal of Chemical Theory and Computation (2025)

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Preprint (12)

2025

Preprint

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

(2025)

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