MPSD Publications

2024

Journal Article

The relevance of degenerate states in chiral polaritonics

C. Bustamante, D. Sidler, M. Ruggenthaler, A. Rubio

The Journal of Chemical Physics 161 (24), 244101 (2024)

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Journal Article

Light-induced renormalization of the band structure of chiral tellurium

G. Gatti, N. Tancogne-Dejean, H. Hübener, U. de Giovannini, J. Dai, S. Polishchuk, P. Bugnon, F. Frassetto, L. Poletto, M. Chergui, M. Grioni, A. Rubio, M. Puppin, A. Crepaldi

Physical Review Materials 8 (12), 125001 (2024)

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Journal Article

Chiral Floquet engineering on topological fermions in chiral crystals

B. Fan, W. Duan, A. Rubio, P. Tang

Npj Quantum Materials 9 (1), 101 (2024)

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Journal Article

Terahertz field-induced metastable magnetization near criticality in FePS₃

B. Ilyas, T. Luo, A. von Hoegen, E. Viñas Boström, Z. Zhang, J. Park, J. Kim, J.-G. Park, K. A. Nelson, A. Rubio, N. Gedik

Nature 636 (8043), 609–614 (2024)

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Journal Article

Carrier mobility of strongly anharmonic materials from first principles

J. Quan, C. Carbogno, M. Scheffler

Physical Review B 110 (23), 235202 (2024)

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Journal Article

Cavity-enhanced superconductivity in MgB₂ from first-principles quantum electrodynamics (QEDFT)

I.-T. Lu, D. Shin, M. K. Svendsen, H. Hübener, U. de Giovannini, S. Latini, M. Ruggenthaler, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 121 (50), e2415061121 (2024)

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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

Ultrafast signatures of merocyanine overcoming steric impedance in crystalline spiropyran

K. M. Siddiqui, S. Bittmann, S. A. Hayes, K. M. Krawczyk, A. Sarracini, G. Corthey, R. Dsouza, R. J. D. Miller

Nature Communications 15 (1), 10659 (2024)

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Journal Article

Interplay between classical and quantum dissipation in light–matter dynamics

F. Tarasi, T. N. Todorov, C. Bustamante, E. D. Gadea, L. Stella, T. Apostolova, D. A. Scherlis

The Journal of Chemical Physics 161 (21), 214107 (2024)

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Journal Article

Simulating Bloch points using micromagnetic and Heisenberg models

T. B. Winkler, M. Beg, M. Lang, M. Kläui, H. Fangohr

IEEE Transactions on Magnetics (2024)

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Journal Article

Floquet Schrieffer-Wolff transform based on Sylvester equations

X. Wang, F. P. M. Méndez-Córdoba, D. Jaksch, F. Schlawin

Physical Review B 110 (24), 245108 (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

Nonequilibrium control of kagome metals

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

Journal of Materials Research 39 (23), 3183–3192 (2024)

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Journal Article

Nonlinear photomagnetization in insulators

B. S. Mendoza, N. Arzate-Plata, N. Tancogne-Dejean, B. M. Fregoso

Physical Review B 110 (22), 224412 (2024)

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Journal Article

On-chip petahertz electronics for single-shot phase detection

F. Ritzkowsky, M. Yeung, E. Bebeti, T. Gebert, T. Matsuyama, M. Budden, R. Mainz, H. Cankaya, K. Berggren, G. Rossi, P. Keathley, F. Kärtner

Nature Communications 15 (1), 10179 (2024)

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Journal Article

Electronic structure software engineering

L. A. Burns, M. J. T. Oliveira, B. P. Pritchard, L. V. Slipchenko

Electronic Structure 6 (4), 042501 (2024)

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Journal Article

Supercell Wannier functions and a faithful low-energy model for Bernal bilayer graphene

A. Fischer, L. Klebl, D. M. Kennes, T. O. Wehling

Physical Review B 110 (20), L201113 (2024)

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Journal Article

Simulating nuclear dynamics with quantum effects

S. Hammes-Schiffer, N. Makri, M. Rossi

Electronic Structure 6 (4), 042501 (2024)

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Journal Article

Insulating moiré homobilayers lack a threefold symmetric second-harmonic generation

L. E. Rosas-Hernandez, J. L. Cabellos, A. Huamán, B. S. Mendoza, S. Barraza-Lopez

Physical Review Materials 8 (11), 116203 (2024)

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Journal Article

Toward a Correct Description of Initial Electronic Coherence in Nonadiabatic Dynamics Simulations

J. Mannouch, A. Kelly

The Journal of Physical Chemistry Letters 15 (46), 11687–11695 (2024)

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Journal Article

Reflection parity and space-time parity photonic conservation laws in parametric nonlinear optics

G. Lerner, M. E. Tzur, O. Neufeld, A. Fleischer, O. Cohen

Physical Review Research 6 (4), L042034 (2024)

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Journal Article

Initial electron thermalization in metals measured by attosecond transient absorption spectroscopy

B. R. de Roulet, L. Drescher, S. Sato, S. R. Leone

Physical Review B 110 (17), 174301 (2024)

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Journal Article

Probing inhomogeneous cuprate superconductivity by terahertz Josephson echo spectroscopy

A. Liu, D. Pavicevic, M. Michael, A. G. Salvador, P. E. Dolgirev, M. Fechner, A. Disa, P. M. Lozano, Q. Li, G. D. Gu, E. Demler, A. Cavalleri

Nature Physics 20 (11), 1751–1756 (2024)

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Journal Article

Solution of the υ-representability problem on a one-dimensional torus

S. M. Sutter, M. Penz, M. Ruggenthaler, R. van Leeuwen, K. J. H. Giesbertz

Journal of Physics A 57 (47), 475202 (2024)

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Journal Article

Kagome Hubbard model from a functional renormalization group perspective

J. B. Profe, L. Klebl, F. Grandi, H. Hohmann, M. Dürrnagel, T. Schwemmer, R. Thomale, D. M. Kennes

Physical Review Research 6 (4), 043078 (2024)

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Journal Article

Magic angle of Sr₂RuO₄: Optimizing correlation-driven superconductivity

J. B. Profe, L. C. Rhodes, M. Dürrnagel, R. Bisset, C. A. Marques, S. Chi, T. Schwemmer, R. Thomale, D. M. Kennes, C. Hooley, P. Wahl

Physical Review Research 6 (4), 043057 (2024)

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Journal Article

Deep Learning-Based Variational Autoencoder for Classification of Quantum and Classical States of Light

M. Bhupati, A. Mall, A. Kumar, P. K. Jha

Advanced Physics Research (2024)

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Journal Article

Correlated topological flat bands in rhombohedral graphite

H. Zhang, Q. Li, M. G. Scheer, R. Wang, C. Tuo, N. Zou, W. Chen, J. Li, X. Cai, C. Bao, M.-R. Li, K. Deng, K. Watanabe, T. Taniguchi, M. Ye, P. Tang, Y. Xu, P. Yu, J. Avila, P. Dudin, J. D. Denlinger, H. Yao, B. Lian, W. Duan, S. Zhou

Proceedings of the National Academy of Sciences of the United States of America 121 (43), e2410714121 (2024)

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Journal Article

Phonon collapse and anharmonic melting of the 3D charge-density wave in kagome metals

M. Gutierrez-Amigo, Ð. Dangić, C. Guo, C. Felser, P. J. W. Moll, M. G. Vergniory, I. Errea

Communications Materials 5 (1), 234 (2024)

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Journal Article

Geometrical perspective on spin–lattice density-functional theory

M. Penz, R. van Leeuwen

The Journal of Chemical Physics 161 (15), 150901 (2024)

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Journal Article

Substrate Interference and Strain in the Second-Harmonic Generation from MoSe₂ Monolayers

S. Puri, S. Patel, J. L. Cabellos, L. E. Rosas-Hernandez, K. Reynolds, H. O. H. Churchill, S. Barraza-Lopez, B. S. Mendoza, H. Nakamura

Nano Letters 24 (41), 13061–13067 (2024)

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Journal Article

Coordination engineering with crown ethers for perovskite precursor stabilization and defect passivation

Z. Zhang, Y. Yang, Z. Huang, Q. Xu, S. Zhu, M. Li, P. Zhao, H. Cui, S. Li, X. Jin, X. Wu, M. Han, Y. Zhang, N. Zhao, C. Zou, Q. Liang, L. D. Xian, J. Hu, C. Zhu, Y. Chen, Y. Bai, Y. Li, Q. Chen, H. Zhou, B. Zhang, Y. Jiang

Energy & Environmental Science 17 (19), 7182–7192 (2024)

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Journal Article

Technical Design Report for the LUXE experiment

H. Abramowicz, M. A. Soto, M. Altarelli, R. Aßmann, A. Athanassiadis, G. Avoni, T. Behnke, M. Benettoni, Y. Benhammou, J. Bhatt, T. Blackburn, C. Blanch, S. Bonaldo, S. Boogert, O. Borysov, M. Borysova, V. Boudry, D. Breton, R. Brinkmann, M. Bruschi, et al.

European Physical Journal - Special Topics 233 (10), 1709–1974 (2024)

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Journal Article

Exploring the dynamics of allostery through multi-dimensional crystallography

C. E. Hatton, P. Mehrabi

Biophysical Reviews 16 (5), 563–570 (2024)

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Journal Article

Numerical simulation projects in micromagnetics with Jupyter

M. Lonsky, M. Lang, S. Holt, S. A. Pathak, R. Klause, T.-H. Lo, M. Beg, A. Hoffmann, H. Fangohr

American Journal of Physics 92 (10), 794–800 (2024)

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Journal Article

Terahertz spectroscopy of collective charge density wave dynamics at the atomic scale

S. Sheng, M. Abdo, S. Rolf-Pissarczyk, K. Lichtenberg, S. Baumann, J. A. J. Burgess, L. Malavolti, S. Loth

Nature Physics 20 (10), 1603–1608 (2024)

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Journal Article

Universal correlation between H-linear magnetoresistance and T-linear resistivity in high-temperature superconductors

J. Ayres, M. Berben, C. Duffy, R. Hinlopen, Y.-T. Hsu, A. Cuoghi, M. Leroux, I. Gilmutdinov, M. Massoudzadegan, D. Vignolles, Y. Huang, T. Kondo, T. Takeuchi, S. Friedemann, A. Carrington, C. Proust, N. E. Hussey

Nature Communications 15 (1), 8406 (2024)

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Journal Article

Emerging tailored light sources for studying chirality and symmetry

D. Habibović, K. R. Hamilton, O. Neufeld, L. Rego

Nature Reviews Physics 6 (11), 663–675 (2024)

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Journal Article

Equilibrium Parametric Amplification in Raman-Cavity Hybrids

H. P. O. Collado, M. Michael, J. Skulte, A. Rubio, L. Mathey

Physical Review Letters 133 (11), 116901 (2024)

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Journal Article

Real-time dynamics of angular momentum transfer from spin to acoustic chiral phonon in oxide heterostructures

I. H. Choi, S. G. Jeong, S. Song, S. Park, D. Shin, W. S. Choi, J. S. Lee

Nature Nanotechnology 19 (9), 1277–1282 (2024)

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Journal Article

Enhanced high harmonic efficiency through phonon-assisted photodoping effect

J. Zhang, O. Neufeld, N. Tancogne-Dejean, I.-T. Lu, H. Hübener, U. de Giovannini, A. Rubio

Npj Computational Materials 10 (1), 202 (2024)

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Journal Article

Reliable quantification of uncertainties: the biggest challenge for data-centric materials modelling?

L. M. Ghiringhelli, M. Rossi

Modelling and Simulation in Materials Science and Engineering 32 (6), 13–15 (2024)

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Journal Article

Towards efficient and accurate input for data-driven materials science from large-scale all-electron density functional theory (DFT) simulations

S. Kokott, A. Marek, F. Merz, P. Karpov, C. Carbogno, M. Rossi, M. Rampp, V. Blum, M. Scheffler

Modelling and Simulation in Materials Science and Engineering 32 (6), 28–31 (2024)

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Journal Article

Principles of two-dimensional terahertz spectroscopy of collective excitations: The case of Josephson plasmons in layered superconductors

A. G. Salvador, P. E. Dolgirev, M. Michael, A. Liu, D. Pavicevic, M. Fechner, A. Cavalleri, E. Demler

Physical Review B 110 (9), 094514 (2024)

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Journal Article

Quasi-equilibrium growth of inch-scale single-crystal monolayer α-In₂Se₃ on fluor-phlogopite

K. Si, Y. Zhao, P. Zhang, X. Wang, Q. He, J. Wei, B. Li, Y. Wang, A. Cao, Z. Hu, P. Tang, F. Ding, Y. Gong

Nature Communications 15 (1), 7471 (2024)

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Journal Article

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Y. Litman, V. Kapil, Y. M. Y. Feldman, D. Tisi, T. Begušić, K. Fidanyan, G. Fraux, J. Higer, M. Kellner, T. E. Li, E. S. Pós, E. Stocco, G. Trenins, B. Hirshberg, M. Rossi, M. Ceriotti

The Journal of Chemical Physics 161 (6), 062504 (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

Magnetic field expulsion in optically driven YBa₂Cu₃O_6.48

S. Fava, G. de Vecchi, G. Jotzu, M. Buzzi, T. Gebert, Y. Liu, B. Keimer, A. Cavalleri

Nature 632 (8023), 75–80 (2024)

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