MPSD Publications

Journal Article

Understanding Polaritonic Chemistry from Ab Initio Quantum Electrodynamics

M. Ruggenthaler, D. Sidler, A. Rubio

Chemical Reviews (2023)

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Journal Article

Frequency-resolved Microscopic Current Density Analysis of Linear and Nonlinear Optical Phenomena in Solids

S. Sato

Journal of the Physical Society of Japan 92 (9), 094401 (2023)

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Journal Article

Floquet Engineering of Black Phosphorus upon Below-Gap Pumping

S. Zhou, C. Bao, B. Fan, F. Wang, H. Zhong, H. Zhang, P. Tang, W. Duan, S. Zhou

Physical Review Letters 131 (11), 116401 (2023)

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Journal Article

Non-Linear Optics at Twist Interfaces in h-BN/SiC Heterostructures

A. Biswas, R. Xu, G. A. Alvarez, J. Zhang, J. Christiansen-Salameh, A. B. Puthirath, K. Burns, J. A. Hachtel, T. Li, S. A. Iyengar, T. Gray, C. Li, X. Zhang, H. Kannan, J. Elkins, T. S. Pieshkov, R. Vajtai, A. G. Birdwell, M. R. Neupane, E. J. Garratt, T. Ivanov, B. B. Pate, Y. Zhao, H. Zhu, Z. Tian, A. Rubio, P. M. Ajayan

Advanced Materials (2023)

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post-print

Journal Article

Shared metadata for data-centric materials science

L. M. Ghiringhelli, C. Baldauf, T. Bereau, S. Brockhauser, C. Carbogno, J. Chamanara, S. Cozzini, S. Curtarolo, C. Draxl, S. Dwaraknath, Á. Fekete, J. Kermode, C. T. Koch, M. Kühbach, A. N. Ladines, P. Lambrix, M.-O. Himmer, S. V. Levchenko, M. J. T. Oliveira, A. Michalchuk, R. E. Miller, B. Onat, P. Pavone, G. Pizzi, B. Regler, G.-M. Rignanese, J. Schaarschmidt, M. Scheidgen, A. Schneidewind, T. Sheveleva, C. Su, D. Usvyat, O. Valsson, C. Wöll, M. Scheffler

Scientific Data 10 (1), 626 (2023)

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Journal Article

Switching the Moiré Lattice Models in the Twisted Bilayer WSe₂ by Strain or Pressure

Y. Gao, Q. Xu, M. U. Farooq, L. D. Xian, L. Huang

Nano Letters 23 (17), 7921–7926 (2023)

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Journal Article

Fast Lithium Ion Transport Pathways Constructed by Two-Dimensional Boron Nitride Nanoflakes in Quasi-Solid-State Polymer Electrolyte

J. Zuo, Y. Dang, P. Zhai, B. Li, L. Wang, M. Wang, Z. Yang, Q. Chen, X. Gu, Z. Li, P. Tang, Y. Gong

Nano Letters 23 (17), 8106–8114 (2023)

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Journal Article

An anisotropic van der Waals dielectric for symmetry engineering in functionalized heterointerfaces

Z. Li, J. Huang, L. Zhou, Z. Xu, F. Qin, P. Chen, X. Sun, G. Liu, C. Sui, C. Qiu, Y. Lu, H. Gou, X. Xi, T. Ideue, P. Tang, Y. Iwasa, H. Yuan

Nature Communications 14 (1), 5568 (2023)

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Journal Article

Cavity-renormalized quantum criticality in a honeycomb bilayer antiferromagnet

L. Weber, E. Viñas Boström, M. Claassen, A. Rubio, D. M. Kennes

Communications Physics 6 (1), 247 (2023)

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Journal Article

Time-resolved plasmon-assisted generation of optical-vortex pulses

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

Scientific Reports 13 (1), 14748 (2023)

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Journal Article

Cavity Born–Oppenheimer Hartree–Fock Ansatz: Light–Matter Properties of Strongly Coupled Molecular Ensembles

T. Schnappinger, D. Sidler, M. Ruggenthaler, A. Rubio, M. Kowalewski

The Journal of Physical Chemistry Letters 14 (36), 8024–8033 (2023)

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Journal Article

Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum Computers

F. Pavošević, I. Tavernelli, A. Rubio

The Journal of Physical Chemistry Letters 14 (35), 7876–7882 (2023)

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Journal Article

Band Nonlinearity-Enabled Manipulation of Dirac Nodes, Weyl Cones, and Valleytronics with Intense Linearly Polarized Light

O. Neufeld, H. Hübener, G. Jotzu, U. de Giovannini, A. Rubio

Nano Letters 23 (16), 7568–7575 (2023)

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Journal Article

Light-Induced Metastable Hidden Skyrmion Phase in the Mott Insulator Cu₂OSeO₃

B. Truc, A. A. Sapozhnik, P. Tengdin, E. Viñas Boström, T. Schönenberger, S. Gargiulo, I. Madan, T. LaGrange, A. Magrez, C. Verdozzi, A. Rubio, H. M. Rønnow, F. Carbone

Advanced Materials 35 (33), 2304197 (2023)

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Journal Article

Optically induced avoided crossing in graphene

S. Buchenau, B. Grimm-Lebsanft, F. Biebl, T. Glier, L. Westphal, J. Reichstetter, D. Manske, M. Fechner, A. Cavalleri, S. Herres-Pawlis, M. Rübhausen

Physical Review B 108 (7), 075419 (2023)

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Journal Article

Short Versus Long Range Exchange Interactions in Twisted Bilayer Graphene

A. Jimeno-Pozo, Z. A. H. Goodwin, P. A. Pantaleón, V. Vitale, L. Klebl, D. M. Kennes, A. Mostofi, J. Lischner, F. Guinea

Advanced Physics Research (2023)

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Journal Article

The Structure of the Density-Potential Mapping. Part II: Including Magnetic Fields

M. Penz, E. I. Tellgren, M. A. Csirik, M. Ruggenthaler, A. Laestadius

ACS Physical Chemistry Au (2023)

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Journal Article

Roadmap on electronic structure codes in the exascale era

V. Gavini, S. Baroni, V. Blum, D. R. Bowler, A. Buccheri, J. R. Chelikowsky, S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi, M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J. M. Herbert, S. Kokott, T. D. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J. E. Pask, C. Plessl, L. E. Ratcliff, R. M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P. Suryanarayana, M. Torrent, L. Truflandier, T. L. Windus, Q. Xu, V. W.-Z. Yu, D. Perez

Modelling and Simulation in Materials Science and Engineering 31 (6), 063301 (2023)

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Journal Article

Simple extension of the plane-wave final state in photoemission: Bringing understanding to the photon-energy dependence of two-dimensional materials

C. S. Kern, A. Haags, L. Egger, X. Yang, H. Kirschner, S. Wolff, T. Seyller, A. Gottwald, M. Richter, U. de Giovannini, A. Rubio, M. G. Ramsey, F. C. Bocquet, S. Soubatch, F. S. Tautz, P. Puschnig, S. Moser

Physical Review Research 5 (3), 033075 (2023)

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Journal Article

First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images

Y. Litman, F. Bonafé, A. Akkoush, H. Appel, M. Rossi

The Journal of Physical Chemistry Letters 14 (30), 6850–6859 (2023)

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Journal Article

Are There Universal Signatures of Topological Phases in High-Harmonic Generation? Probably Not.

O. Neufeld, N. Tancogne-Dejean, H. Hübener, U. de Giovannini, A. Rubio

Physical Review X 13 (3), 031011 (2023)

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Journal Article

Optimizing Floquet engineering for non-equilibrium steady states with gradient-based methods

A. Castro, S. Sato

SciPost Physics 15 (1), 029 (2023)

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Journal Article

Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density

A. Grisafi, A. Lewis, M. Rossi, M. Ceriotti

Journal of Chemical Theory and Computation 19 (14), 4335–4780 (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

Ab initio spatial phase retrieval via intensity triple correlations

N. Peard, K. Ayyer, H. N. Chapman

Optics Express 31 (15), 25082–25092 (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

Electronic dispersion, correlations and stacking in the photoexcited state of 1T-TaS₂

J. Dong, D. Shin, E. Pastor, T. Ritschel, L. Cario, Z. Chen, W. Qi, R. Grasset, M. Marsi, A. Taleb-Ibrahimi, N. Park, A. Rubio, L. Perfetti, E. Papalazarou

2D Materials 10 (4), 045001 (2023)

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Journal Article

Nonequilibrium correlation dynamics in the one-dimensional Fermi-Hubbard model: A testbed for the two-particle reduced density matrix theory

S. Donsa, F. Lackner, J. Burgdörfer, M. Bonitz, B. Kloss, A. Rubio, I. Březinová

Physical Review Research 5 (3), 033022 (2023)

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Journal Article

Time-Resolved Single-Particle X-ray Scattering Reveals Electron-Density Gradients As Coherent Plasmonic-Nanoparticle-Oscillation Source

D. Hoeing, R. Salzwedel, L. Worbs, Y. Zhuang, A. K. Samanta, J. Lübke, A. Estillore, K. Dlugolecki, C. Passow, B. Erk, N. Ekanayaje, D. Ramm, J. Correa, C. C. Papadooulou, A. T. Noor, F. Schulz, M. Selig, A. Knorr, K. Ayyer, J. Küpper, H. Lange

Nano Letters 23 (13), 5943–5950 (2023)

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Journal Article

Measuring exciton-phonon coupling in semiconductor nanocrystals

A. Liu, D. B. Almeida, S. T. Cundiff, L. A. Padilha

Electronic Structure 5 (1), 033001 (2023)

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Journal Article

Rubber-like elasticity in laser-driven free surface flow of a Newtonian fluid

M. Kayanattil, Z. Huang, D. Gitaric, S. Epp

Proceedings of the National Academy of Sciences of the United States of America 120 (27), e2301956120 (2023)

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Journal Article

Predicting the electronic density response of condensed-phase systems to electric field perturbations

A. Lewis, P. Lazzaroni, M. Rossi

The Journal of Chemical Physics 159 (1), 014103 (2023)

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Journal Article

Inter-Bragg crystallographic phase retrieval from shape transforms, stacking faults and substitutional disorder

J. P. J. Chen, K. Pande, J. J. Donatelli, A. V. Martin, K. Ayyer, H. N. Chapman, R. Bean, K. E. Schmidt, R. A. Kirian

Ultramicroscopy 249, 113728 (2023)

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Journal Article

Exactly solvable toy model of autocatalysis: Irreversible relaxation after a quantum quench

R. Merlin

Physical Review E 108 (1), 014104 (2023)

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Journal Article

Link between interlayer hybridization and ultrafast charge transfer in WS₂-graphene heterostructures

N. Hofmann, L. Weigl, J. Gradl, N. Mishra, G. Orlandini, S. Forti, C. Coletti, S. Latini, L. Xian, A. Rubio, D. P. Paredes, R. P. Causin, S. Brem, E. Malic, I. Gierz

2D Materials 10 (3), 035025 (2023)

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Journal Article

Gapless detection of broadband terahertz pulses using a metal surface in air based on field-induced second-harmonic generation

S. Tanaka, Y. Murotani, S. Sato, T. Fujimoto, T. Matsuda, N. Kanda, R. Matsunaga, J. Yoshinobu

Applied Physics Letters 122 (25), 251101 (2023)

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Journal Article

Second-order topology and supersymmetry in two-dimensional topological insulators

C. S. Weber, M. Pletyukhov, Z. Hou, D. M. Kennes, J. Klinovaja, D. Loss, H. Schoeller

Physical Review B 107 (23), 235402 (2023)

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Journal Article

Quenched Excitons in WSe₂/α-RuCl₃ Heterostructures Revealed by Multimessenger Nanoscopy

A. J. Sternbach, R. A. Vitalone, S. Shabani, J. Zhang, T. P. Darlington, S. L. Moore, S. H. Chae, E. Seewald, X. Xu, C. R. Dean, X. Zhu, A. Rubio, J. Hone, A. N. Pasupathy, P. J. Schuck, D. N. Basov

Nano Letters 23 (11), 5070–5075 (2023)

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Journal Article

Irremovable Mn-Bi Site Mixing in MnBi₂Te₄

X. Wu, C. Ruan, P. Tang, F. Kang, W. Duan, J. Li

Nano Letters 23 (11), 5048–5054 (2023)

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Journal Article

Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity

S. Liu, F. Bonafé, H. Appel, A. Rubio, M. Wolf, T. Kumagai

ACS Nano 17 (11), 10172–10180 (2023)

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Journal Article

Chirality selective magnon-phonon hybridization and magnon-induced chiral phonons in a layered zigzag antiferromagnet

J. Cui, E. Viñas Boström, M. Ozerov, F. Wu, Q. Jiang, J.-H. Chu, C. Li, F. Liu, X. Xu, A. Rubio, Q. Zhang

Nature Communications 14 (1), 3396 (2023)

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Journal Article

Protected spin-orbit induced absorption divergence in distorted Landau levels

D. Sidler, M. Ruggenthaler, A. Rubio

Physical Review B 107 (21), 214409 (2023)

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Journal Article

Layered metals as polarized transparent conductors

C. Putzke, C. Guo, V. Plisson, M. Kroner, T. Chervy, M. Simoni, P. Wevers, M. D. Bachmann, J. R. Cooper, A. Carrington, N. Kikugawa, J. Fowlie, S. Gariglio, A. P. Mackenzie, K. S. Burch, A. Îmamoğlu, P. J. W. Moll

Nature Communications 14 (1), 3147 (2023)

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Journal Article

Nonlinear Interferometry for Quantum-Enhanced Measurements of Multiphoton Absorption

S. Panahiyan, C. S. Muñoz, M. V. Chekhova, F. Schlawin

Physical Review Letters 130 (20), 203604 (2023)

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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)

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Journal Article

The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni

T. Lojewski, M. F. Elhanoty, L. L. Guyader, O. Grånäs, N. Agarwal, C. Boeglin, R. Carley, A. Castoldi, C. David, C. Deiter, F. Döring, R. Y. Engel, F. Erdinger, H. Fangohr, C. Fiorini, P. Fischer, N. Gerasimova, R. Gort, F. de Groot, K. Hansen, S. Hauf, D. Hickin, M. Izquierdo, B. E. Van Kuiken, Y. Kvashnin, C.-H. Lambert, D. Lomidze, S. Maffessanti, L. Mercadier, G. Mercurio, P. S. Miedema, K. Ollefs, M. Pace, M. Porro, J. Rezvani, B. Rösner, N. Rothenbach, A. Samartsev, A. Scherz, J. Schlappa, C. Stamm, M. Teichmann, P. Thunstrom, M. Turcato, A. Yaroslavtsev, J. Zhu, M. Beye, H. Wende, U. Bovensiepen, O. Eriksson, A. Eschenlohr

Materials Research Letters 11 (8), 655–661 (2023)

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Journal Article

Photo-induced high-temperature ferromagnetism in YTiO₃

A. Disa, J. Curtis, M. Fechner, A. Liu, A. von Hoegen, M. Först, T. F. Nova, P. Narang, A. Maljuk, A. V. Boris, B. Keimer, A. Cavalleri

Nature 617 (7959), 73–78 (2023)

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