Publications

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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ZIP

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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ZIP

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

The FHI-aims code: all-electron, ab initio materials simulations towards the exascale

V. Blum, M. Rossi, S. Kokott, M. Scheffler

Modelling and Simulation in Materials Science and Engineering 31 (6), 063301 (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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pre-print

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

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 3 (6), 492–511 (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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ZIP

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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