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Exchange energies with forces in density-functional theory

N. Tancogne-Dejean, M. Penz, A. Laestadius, M. A. Csirik, M. Ruggenthaler, A. Rubio

The Journal of Chemical Physics 160 (2), 024103 (2024)

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Observation of a single protein by ultrafast X-ray diffraction

T. Ekeberg, D. Assalauova, J. Bielecki, R. Boll, B. J. Daurer, L. A. Eichacker, L. E. Franken, D. E. Galli, L. Gelisio, L. Gumprecht, L. H. Gunn, J. Hajdu, R. Hartmann, D. Hasse, A. Ignatenko, J. Koliyadu, O. Kulyk, R. Kurta, M. Kuster, W. Lugmayr, J. Lübke, A. P. Mancuso, T. Mazza, C. Nettelblad, Y. Ovcharenko, D. E. Rivas, M. Rose, A. K. Samanta, P. Schmidt, E. Sobolev, N. Timneanu, S. Usenko, D. Westphal, T. Wollweber, L. Worbs, P. L. Xavier, H. Yousef, K. Ayyer, H. N. Chapman, J. A. Sellberg, C. Seuring, I. A. Vartanyants, J. Küpper, M. Meyer, F. R. N. C. Maia

Light: Science & Applications 13, 15 (2024)

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Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping

J. E. Lawrence, J. Mannouch, and J. O. Richardson

The Journal of Physical Chemistry Letters 15 (3), 707–716 (2024)

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Machine-learning-based detection of spin structures

I. Labrie-Boulay, T. B. Winkler, D. Franzen, A. Romanova, H. Fangohr, M. Kläui

Physical Review Applied 21 (1), 014014 (2024)

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Tip Growth of Quasi-Metallic Bilayer Graphene Nanoribbons with Armchair Chirality

S. Lou, B. Lyu, J. Chen, X. Zhou, W. Jiang, L. Qiu, P. Shen, S. Ma, Z. Zhang, Y. Xie, Z. Wu, Y. Chen, K. Xu, Q. Liang, K. Watanabe, T. Taniguchi, L. D. Xian, G. Zhang, W. Ouyang, F. Ding, Z. Shi

Nano Letters 24 (1), 156–164 (2024)

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Spin and charge fluctuation induced pairing in ABCB tetralayer graphene

A. Fischer, L. Klebl, J. B. Hauck, A. Rothstein, L. Waldecker, B. Beschoten, T. O. Wehling, D. M. Kennes

Physical Review Research 6 (1), L012003 (2024)

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Coarse-graining collective skyrmion dynamics in confined geometries

T. B. Winkler, J. Rothörl, M. A. Brems, G. Beneke, H. Fangohr, M. Kläui

Applied Physics Letters 124 (2), 022403 (2024)

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Light-Induced Ideal Weyl Semimetal in HgTe via Nonlinear Phononics

D. Shin, A. Rubio, P. Tang

Physical Review Letters 132 (1), 016603 (2024)

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A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX₂ (M = Mo, W; X = S, Se) Monolayers

A. Akkoush, Y. Litman, M. Rossi

Physica Status Solidi A 221 (1), 2300180 (2024)

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Terahertz parametric amplification as a reporter of exciton condensate dynamics

S. R. U. Haque, M. H. Michael, J. Zhu, Y. Zhang, L. Windgätter, S. Latini, J. P. Wakefield, G.-F. Zhang, J. Zhang, A. Rubio, J. G. Checkelsky, E. Demler, R. D. Averitt

Nature Materials (2024)

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STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials

P. Hogan-Lamarre, Y. Luo, R. Bücker, R. J. D. Miller, X. Zou

IUCrJ 11 (1), 62–72 (2024)

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Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method

G. D. Mirón, C. R. Lien-Medrano, D. Banerjee, U. N. Morzan, M. A. Sentef, R. Gebauer, A. Hassanali

Journal of Chemical Theory and Computation (2024)

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All-electric writing of a chiral quantum memory

P. J. W. Moll

Nature Materials 23 (1), 35–36 (2024)

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On the Role of Nuclear Motion in Singlet Exciton Fission: The Case of Single-Crystal Pentacene

A. Neef, M. Rossi, M. Wolf, R. Ernstorfer, H. Seiler

Physica Status Solidi A 221 (1), 2300304 (2024)

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New aerodynamic lens injector for single particle diffractive imaging

N. Roth, D. A. Horke, J. Lübke, A. K. Samanta, A. D. Estillore, L. Worbs, N. Pohlman, K. Ayyer, A. Morgan, H. Fleckenstein, M. Domaracky, B. Erk, C. Passow, J. Correa, O. Yefanov, A. Barty, S. Bajt, R. A. Kirian, H. N. Chapman, J. Küpper

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 1058, 168820 (2024)

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pre-print

2023

Zeitschriftenartikel

Roadmap for focused ion beam technologies

K. Höflich, G. Hobler, F. I. Allen, T. Wirtz, G. Rius, L. McElwee-White, A. V. Krasheninnikov, M. Schmidt, I. Utke, N. Klingner, M. Osenberg, R. Córdoba, F. Djurabekova, I. Manke, P. J. W. Moll, M. Manoccio, J. M. De Teresa, L. Bischoff, J. Michler, O. De Castro, A. Delobbe, P. Dunne, O. V. Dobrovolskiy, N. Frese, A. Gölzhäuser, P. Mazarov, D. Koelle, W. Möller, F. Pérez-Murano, P. Philipp, F. Vollnhals, G. Hlawacek

Applied Physics Reviews 10 (4), 041311 (2023)

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Mapping Light-Dressed Floquet Bands by Highly Nonlinear Optical Excitations and Valley Polarization

A. Galler, A. Rubio, O. Neufeld

The Journal of Physical Chemistry Letters 14 (50), 11298–11304 (2023)

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