MPSD Publications

MPSD Publications

Journal Article (1437)

2025
Journal Article
Largely Enhanced Oxygen Evolution Performance in a Ferromagnetic Ruddlesden–Popper Phase Cobaltate
Z. Meng, Y. Qi, P. Qin, X. Zhou, X. Wang, H. Chen, L. Liu, G. Zhao, Z. Duan, J. Liu, Q. Zhang, P. Tang, Z. Liu
Nano Letters 25 (12), 4887–4894 (2025)
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 21 (6), 2909–2917 (2025)
Journal Article
On-demand heralded MIR single-photon source using a cascaded quantum system
J. Iles-Smith, M. K. Svendsen, A. Rubio, M. Wubs, N. Stenger
Science Advances 11 (11), eadr9239 (2025)
Journal Article
Probing water-electrified electrode interfaces: Insights from Au and Pd
G. M. Arvelos, M. Fernández-Serra, A. Rocha, L. A. Pedroza
The Journal of Chemical Physics 162 (9), 094707 (2025)
Journal Article
Quantum-Electrodynamical Density-Functional Theory Exemplified by the Quantum Rabi Model
V. H. Bakkestuen, V. Falmår, M. Lotfigolian, M. Penz, M. Ruggenthaler, A. Laestadius
The Journal of Physical Chemistry A 129 (9), 2337–2360 (2025)
Journal Article
Analytic model reveals local molecular polarizability changes induced by collective strong coupling in optical cavities
Physical Review Research 7 (1), 013242 (2025)
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 61 (3), 7200408 (2025)
Journal Article
Replicability and the evolution of scientific norms
H. Bretscher, N. Muñoz Garganté
Nature Reviews Physics (2025)
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)
Journal Article
Correlated states controlled by a tunable van Hove singularity in moiré WSe2 bilayers
P. Knüppel, J. Zhu, Y. Xia, Z. Xia, Z. Han, Y. Zeng, K. Watanabe, T. Taniguchi, J. Shan, K. F. Mak
Nature Communications 16 (1), 1959 (2025)
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)
Journal Article
Ultrafast simultaneous manipulation of multiple ferroic orders through nonlinear phonon excitation
D. A. B. Lopez, D. M. Juraschek, M. Fechner, X. Xu, S.-W. Cheong, W. Hu
Npj Quantum Materials 10 (1), 24 (2025)
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)
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)
Journal Article
Mean-field study of quantum oscillations in two-dimensional Kondo insulators
K. Wang, Y. Ge, Y. Komijani
Physical Review B 111 (7), 075131 (2025)
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)
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)
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)
Journal Article
Carlo.jl: A general framework for Monte Carlo simulations in Julia
SciPost Physics Codebases, 49 (2025)
Journal Article
Transverse voltage in anisotropic hydrodynamic conductors
Physical Review B 111 (8), L081402 (2025)
Journal Article
Full minimal coupling Maxwell-TDDFT: An ab initio framework for light-matter interaction beyond the dipole approximation
Physical Review B 111 (8), 085114 (2025)
Journal Article
[News & Views:] Hot effect and cool control
Nature Materials 24 (2), 167–168 (2025)
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)
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)
Journal Article
Photo-induced chirality in a nonchiral crystal
Science 387 (6732), 431–436 (2025)
Journal Article
Nonperturbative mass renormalization effects in nonrelativistic quantum electrodynamics
Physical Review Research 7 (1), 013093 (2025)
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)
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)
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)
Journal Article
2D Covalent Moiré Superlattice from Fluorinating Twisted Bilayer Graphene
D. Ji, Q. Xu, L. D. Xian
Advanced Functional Materials (2025)
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)
Journal Article
Local-Density Correlation Functional from the Force-Balance Equation
The Journal of Physical Chemistry A (2025)
2024
Journal Article
The relevance of degenerate states in chiral polaritonics
The Journal of Chemical Physics 161 (24), 244101 (2024)
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)
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)
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)
Journal Article
Carrier mobility of strongly anharmonic materials from first principles
J. Quan, C. Carbogno, M. Scheffler
Physical Review B 110 (23), 235202 (2024)
Journal Article
Cavity-enhanced superconductivity in MgB2 from first-principles quantum electrodynamics (QEDFT)
Proceedings of the National Academy of Sciences of the United States of America 121 (50), e2415061121 (2024)
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)
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)
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)
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)
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)
Journal Article
Nonequilibrium control of kagome metals
F. Grandi, R. Thomale, D. M. Kennes
Journal of Materials Research 39 (23), 3183–3192 (2024)
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)
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)
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)
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)
Journal Article
Simulating nuclear dynamics with quantum effects
S. Hammes-Schiffer, N. Makri, M. Rossi
Electronic Structure 6 (4), 042501 (2024)
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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