Publications

Journal Article

Using Jupyter for Reproducible Scientific Workflows

M. Beg, J. Taka, T. Kluyver, A. Konovalov, M. Ragan-Kelley, N. Thiery, H. Fangohr

Computing in Science & Engineering 23 (2), 36–46 (2021)

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Journal Article

Jupyter in Computational Science

H. Fangohr, T. Kluyver, M. DiPierro

Computing in Science & Engineering 23 (2), 5–6 (2021)

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Journal Article

Vibrational coherent control of localized d–d electronic excitation

A. Marciniak, S. Marcantoni, F. Giusti, F. Glerean, G. Sparapassi, T. F. Nova, A. Cartella, S. Latini, F. Valiera, A. Rubio, J. van den Brink, F. Benatti, D. Fausti

Nature Physics 17 (3), 368–373 (2021)

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Journal Article

Single and double charge transfer in the Ne²⁺ + He collision within time-dependent density-functional theory

W. Yu, C.-Z. Gao, S. Sato, A. Castro, A. Rubio, B. Wei

Physical Review A 103 (3), 032816 (2021)

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Journal Article

Hydrated Alkali Atoms on Copper(111): A Density Functional Theory Study

A. Pérez Paz, A. Rubio

The Journal of Physical Chemistry C 125 (7), 3868–3879 (2021)

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Journal Article

Self-Consistent Potential Correction for Charged Periodic Systems

M. C. da Silva, M. Lorke, B. Aradi, M. Farzalipour Tabriz, T. Frauenheim, A. Rubio, D. Rocca, P. Deák

Physical Review Letters 126 (7), 076401 (2021)

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Journal Article

Unravelling the intertwined atomic and bulk nature of localised excitons by attosecond spectroscopy

M. Lucchini, S. Sato, G. D. Lucarelli, B. Moio, G. Inzani, R. Borrego-Varillas, F. Frassetto, L. Poletto, H. Hübener, U. de Giovannini, A. Rubio, M. Nisoli

Nature Communications 12, 1021 (2021)

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Journal Article

Higher-Order Band Topology in Twisted Moiré Superlattice

B. Liu, L. D. Xian, H. Mu, G. Zhao, Z. Liu, A. Rubio, Z. F. Wang

Physical Review Letters 126 (6), 066401 (2021)

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Journal Article

Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL

C. König, V. Krewald, M. Roemelt, M. Rossi

International Journal of Quantum Chemistry 121 (3), e26587 (2021)

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Journal Article

The conformational space of a flexible amino acid at metallic surfaces

D. Maksimov, C. Baldauf, M. Rossi

International Journal of Quantum Chemistry 121 (3), e26369 (2021)

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Journal Article

Anomalous thickness dependence of Curie temperature in air-stable two-dimensional ferromagnetic 1T-CrTe₂ grown by chemical vapor deposition

L. Meng, Z. Zhou, M. Xu, S. Yang, K. Si, L. Liu, X. Wang, H. Jiang, B. Li, P. Qin, P. Zhang, J. Wang, Z. Liu, P. Tang, Y. Ye, W. Zhou, L. Bao, H.-J. Gao, Y. Gong

Nature Communications 12 (1), 809 (2021)

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Journal Article

Programmable hyperbolic polaritons in van der Waals semiconductors

A. J. Sternbach, S. H. Chae, S. Latini, A. A. Rikhter, Y. Shao, B. Li, D. Rhodes, B. Kim, P. J. Schuck, X. Xu, X.-Y. Zhu, R. D. Averitt, J. Hone, M. M. Fogler, A. Rubio, D. N. Basov

Science 371 (6529), 617–620 (2021)

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Journal Article

Environmental Liquid Cell Technique for Improved Electron Microscopic Imaging of Soft Matter in Solution

S. Azim, L. Bultema, M. de Kock, E. R. Osorio-Blanco, M. Calderón, J. Gonschior, J.-P. Leimkohl, F. Tellkamp, R. Bücker, E.-C. Schulz, S. Keskin, N. de Jonge, G. Kassier, R. J. D. Miller

Microscopy and Microanalysis 27 (1), 44–53 (2021)

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Journal Article

Hybrid CO₂-Ti:sapphire laser with tunable pulse duration for mid-infrared-pump terahertz-probe spectroscopy

M. Budden, T. Gebert, A. Cavalleri

Optics Express 29 (3), 3575–3583 (2021)

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Journal Article

Moiré heterostructures as a condensed-matter quantum simulator

D. M. Kennes, M. Claassen, L. D. Xian, A. Georges, A. J. Millis, J. Hone, C. R. Dean, D. N. Basov, A. N. Pasupathy, A. Rubio

Nature Physics 17 (2), 155–163 (2021)

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Journal Article

Quantitative sampling of atomic-scale electromagnetic waveforms

D. Peller, C. Roelcke, L. Z. Kastner, T. Buchner, A. Neef, J. Hayes, F. Bonafé, D. Sidler, M. Ruggenthaler, A. Rubio, R. Huber, J. Repp

Nature Photonics 15 (2), 143–147 (2021)

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Journal Article

Coherent control of collective nuclear quantum states via transient magnons

L. Bocklage, J. Gollwitzer, C. Strohm, C. F. Adolff, K. Schlage, I. Sergeev, O. Leupold, H.-C. Wille, G. Meier, R. Röhlsberger

Science Advances 7 (5), eabc3991 (2021)

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Journal Article

Toward Confined Carbyne with Tailored Properties

L. Shi, R. Senga, K. Suenaga, H. Kataura, T. Saito, A. P. Paz, A. Rubio, P. Ayala, T. Pichler

Nano Letters 21 (2), 1096–1101 (2021)

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Journal Article

Moiréless correlations in ABCA graphene

A. Kerelsky, C. Rubio-Verdú, L. D. Xian, D. M. Kennes, D. Halbertal, N. Finney, L. Song, S. Turkel, L. Wang, K. Watanabe, T. Taniguchi, J. Hone, C. Dean, D. Basov, A. Rubio, A. N. Pasupathy

Proceedings of the National Academy of Sciences of the United States of America 118 (4), e2017366118 (2021)

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Journal Article

The 2021 quantum materials roadmap

F. Giustino, M. Bibes, J. H. Lee, F. Trier, R. Valentí, S. M. Winter, Y.-W. Son, L. Taillefer, C. Heil, A. I. Figueroa, B. Plaçais, Q. Wu, O. V. Yazyev, E. P. A. M. Bakkers, J. Nygård, P. Forn-Diaz, S. de Franceschi, L. E. F. Foa Torres, J. W. McIver, A. Kumar, T. Low, R. Galceran, S. Valenzuela, M. V. Costache, A. Manchon, E.-A. Kim, G. R. Schleder, A. Fazzio, S. Roche

JPhys Materials 3 (4), 042006 (2021)

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Journal Article

Spin-fluctuation-induced pairing in twisted bilayer graphene

A. Fischer, L. Klebl, C. Honerkamp, D. M. Kennes

Physical Review B 103 (4), L041103 (2021)

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Journal Article

Quadrupole spin polarization as signature of second-order topological superconductors

K. Plekhanov, N. Müller, Y. Volpez, D. M. Kennes, H. Schoeller, D. Loss, J. Klinovaja

Physical Review B 103 (4), L041401 (2021)

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Journal Article

High-order harmonic generation in graphene: Nonlinear coupling of intraband and interband transitions

S. Sato, H. Hirori, Y. Sanari, Y. Kanemitsu, A. Rubio

Physical Review B 103 (4), L041408 (2021)

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Journal Article

Analytical solution for the steady states of the driven Hubbard model

J. Tindall, F. Schlawin, M. A. Sentef, D. Jaksch

Physical Review B 103 (3), 035146 (2021)

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Journal Article

Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111)

K. Fidanyan, I. Hamada, M. Rossi

Advanced Theory and Simulations 4 (4), 2000241 (2021)

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Journal Article

Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties

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

The Journal of Physical Chemistry Letters 12 (1), 508–516 (2021)

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Journal Article

An encryption-decryption framework for validating single-particle imaging

Z. Shen, C. Z. W. Teo, K. Ayyer, N. D. Loh

Scientific Reports 11, 971 (2021)

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Journal Article

Moiré metrology of energy landscapes in van der Waals heterostructures

D. Halbertal, N. R. Finney, S. S. Sunku, A. Kerelsky, C. Rubio-Verdú, S. Shabani, L. D. Xian, S. Carr, S. Chen, C. Zhang, L. Wang, D. Gonzalez-Acevedo, A. S. McLeod, D. Rhodes, K. Watanabe, T. Taniguchi, E. Kaxiras, C. R. Dean, J. C. Hone, A. N. Pasupathy, D. M. Kennes, A. Rubio, D. N. Basov

Nature Communications 12, 242 (2021)

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Journal Article

High Harmonics and Isolated Attosecond Pulses from MgO

Z. Nourbakhsh, N. Tancogne-Dejean, H. Merdji, A. Rubio

Physical Review Applied 15 (1), 014013 (2021)

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Journal Article

Universality of Boundary Charge Fluctuations

C. S. Weber, K. Piasotski, M. Pletyukhov, J. Klinovaja, D. Loss, H. Schoeller, D. M. Kennes

Physical Review Letters 126 (1), 016803 (2021)

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Journal Article

3D diffractive imaging of nanoparticle ensembles using an x-ray laser

K. Ayyer, P. L. Xavier, J. Bielecki, Z. Shen, B. J. Daurer, A. K. Samanta, S. Awel, R. Bean, A. Barty, T. Ekeberg, A. D. Estillore, H. Fangohr, K. Giewekemeyer, M. S. Hunter, M. Karnevskiy, R. A. Kirian, H. Kirkwood, Y. Kim, J. Koliyadu, H. Lange, R. Letrun, J. Lübke, T. Michelat, A. J. Morgan, N. Roth, T. Sato, M. Sikorski, F. Schulz, J. C. H. Spence, P. Vagovic, T. Wollweber, L. Worbs, O. Yefanov, Y. Zhuang, F. R. N. C. Maia, D. A. Horke, J. Küpper, N. D. Loh, A. P. Mancuso, H. N. Chapman

Optica 8 (1), 15–23 (2021)

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Journal Article

Polariton panorama

D. N. Basov, A. Asenjo-Garcia, P. J. Schuck, X. Zhu, A. Rubio

Nanophotonics 10 (1), 549–577 (2021)

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Full

Book Chapter (2)

2021

Book Chapter

Chiral Coupling to Magnetodipolar Radiation

T. Yu, G. E. W. Bauer

In: E. Kamenetskii, editor. Chirality, Magnetism and Magnetoelectricity: Separate Phenomena and Joint Effects in Metamaterial Structures, Springer; 2021

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Book Chapter

Chiral Coupling to Magnetodipolar Radiation

T. Yu, G. E. W. Bauer

In: E. Kamenetskii, editor. Chirality, Magnetism and Magnetoelectricity, Springer; 2021

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Conference Paper (2)

2021

Conference Paper

Serial Electron Crystallography: New Developments for Data Collection and Analysis

R. Bücker, P. Hogan-Lamarre, P. Mehrabi, E. Schulz, G. Kassier, R. J. D. Miller

Microscopy and Microanalysis, vol. 27. S1 ed., New York, NY: Cambridge University Press; 2021, p. 1286–1289

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Conference Paper

Femtosecond Single-Particle Diffractive Imaging of 3D DNA-Origami Molecular Scaffolds with XFEL Pulses

P. L. Xavier, K. Ayyer, O. Yefanov, L. Gelisio, J. Bielecki, A. K. Samanta, S. Bajt, R. Sha, D. A. Bushnell, R. D. Kornberg, Y. Ovcharenko, J. Kuepper, M. Meyer, N. C. Seeman, H. N. Chapman

Biophysical Journal, vol. 120. 3 Supplement 1, Cambridge, Mass.: Cell Press; 2021, p. 265a

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