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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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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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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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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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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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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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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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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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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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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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Double Quantum Spin Hall Phase in Moiré WSe₂

K. Kang, Y. Qiu, K. Watanabe, T. Taniguchi, J. Shan, K. F. Mak

Nano Letters 24 (46), 14901–14907 (2024)

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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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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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Simulating nuclear dynamics with quantum effects

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

Electronic Structure 6 (4), 042501 (2024)

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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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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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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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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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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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