Publications of the IMPRS UFAST fellows

Journal Article (19)

2021
Journal Article
Common microscopic origin of the phase transitions in Ta2NiS5 and the excitonic insulator candidate Ta2NiSe5
L. Windgätter, M. Rösner, G. Mazza, H. Hübener, A. Georges, A. J. Millis, S. Latini, A. Rubio
Npj Computational Materials 7 (1), 210 (2021)
Journal Article
Phase Diagram for Light-Induced Superconductivity in κ−(ET)2−X
M. Buzzi, D. Nicoletti, S. Fava, G. Jotzu, K. Miyagawa, K. Kanoda, A. Henderson, T. Siegrist, J. A. Schlueter, M.-S. Nam, A. Ardavan, A. Cavalleri
Physical Review Letters 127 (19), 197002 (2021)
Journal Article
Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light–matter coupling
C. Schäfer, F. Buchholz, M. Penz, M. Ruggenthaler, A. Rubio
Proceedings of the National Academy of Sciences of the United States of America 118 (41), e2110464118 (2021)
Journal Article
Fundamental Flaw in the Current Construction of the TiO2 Electron Transport Layer of Perovskite Solar Cells and Its Elimination
Y. Yan, C. Liu, Y. Yang, G. Hu, V. Tiwari, D.-e. Jiang, W. Peng, A. Jha, H.-G. Duan, F. Tellkamp, Y. Ding, W. Shi, S. Yuan, R. J. D. Miller, W. Ma, J. Zhao
ACS Applied Materials and Interfaces 13 (33), 39371–39378 (2021)
Journal Article
Light-matter coupling and quantum geometry in moiré materials
G. E. Topp, C. Eckhardt, D. M. Kennes, M. A. Sentef, P. Törmä
Physical Review B 104 (6), 064306 (2021)
Journal Article
Down-conversion processes in ab initio nonrelativistic quantum electrodynamics
D. Welakuh, M. Ruggenthaler, M.-L. Tchenkoue Djouom, H. Appel, A. Rubio
Physical Review Research 3 (3), 033067 (2021)
Journal Article
Light-Induced Charge Transfer from Transition-Metal-Doped Aluminum Clusters to Carbon Dioxide
A. Göbel, A. Rubio, J. Lischner
The Journal of Physical Chemistry A 125 (27), 5878–5885 (2021)
Journal Article
Impact of partially bosonized collective fluctuations on electronic degrees of freedom
V. Harkov, M. Vandelli, S. Brener, A. I. Lichtenstein, E. A. Stepanov
Physical Review B 103 (24), 245123 (2021)
Journal Article
Real-time observation of a correlation-driven sub 3 fs charge migration in ionised adenine
E. P. Mansson, S. Latini, F. Covito, V. Wanie, M. Galli, E. Perfetto, G. Stefanucci, H. Hübener, U. de Giovannini, M. C. Castrovilli, A. Trabattoni, F. Frassetto, L. Poletto, J. B. Greenwood, F. Legare, M. Nisoli, A. Rubio, F. Calegari
Communications Chemistry 4, 73 (2021)
Journal Article
Serial Electron Diffraction Data Processing With diffractem and CrystFEL
R. Bücker, P. Hogan-Lamarre, R. J. D. Miller
Frontiers in Molecular Biosciences 8, 624264 (2021)
Journal Article
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
S. Günther, P. Y. A. Reinke, Y. Fernández-García, J. Lieske, T. J. Lane, H. M. Ginn, F. H. M. Koua, C. Ehrt, W. Ewert, D. Oberthuer, O. Yefanov, S. Meier, K. Lorenzen, B. Krichel, J.-D. Kopicki, L. Gelisio, W. Brehm, I. Dunkel, B. Seychell, H. Gieseler, B. Norton-Baker, B. Escudero-Pérez, M. Domaracky, S. Saouane, A. Tolstikova, T. A. White, A. Hänle, M. Groessler, H. Fleckenstein, F. Trost, M. Galchenkova, Y. Gevorkov, C. Li, S. Awel, A. Peck, M. Barthelmess, F. Schlünzen, L. X. Paulraj, N. Werner, H. Andaleeb, N. Ullah, S. Falke, V. Srinivasan, B. A. Franca, M. Schwinzer, H. Brognaro, C. Rogers, D. Melo, J. J. Zaitsev-Doyle, J. Knoska, G. E. P. Murillo, A. R. Mashhour, F. Guicking, V. Hennicke, P. Fischer, J. Hakanpää, J. Meyer, P. Gribbon, B. Ellinger, M. Kuzikov, M. Wolf, A. R. Beccari, G. Bourenkov, D. von Stetten, G. Pompidor, I. Bento, S. Panneerselvam, I. Karpics, T. R. Schneider, M. M. G. Alai, S. Niebling, C. Günther, C. Schmidt, R. Schubert, H. Han, J. Boger, D. C. F. Monteiro, L. Zhang, X. Sun, J. Pletzer-Zelgert, J. Wollenhaupt, C. G. Feiler, M. S. Weiss, E.-C. Schulz, P. Mehrabi, K. Karničar, A. Usenik, J. Loboda, H. Tidow, A. Chari, R. Hilgenfeld, C. Uetrecht, R. Cox, A. Zaliani, T. Beck, M. Rarey, S. Günther, D. Turk, W. Hinrichs, H. N. Chapman, A. .R. Pearson, C. Betzel, A. Meents
Science 372 (6542), 642–646 (2021)
Journal Article
Clocking Auger electrons
D. Haynes, M. Wurzer, A. Schletter, A. Al-Haddad, C. Blaga, C. Bostedt, J. Bozek, M. Bucher, A. Camper, S. Carron, R. Coffee, J. T. Costello, L. F. DiMauro, Y. Ding, K. Ferguson, I. Grguraš, W. Helml, M. C. Hoffmann, M. Ilchen, S. Jalas, N. M. Kabachnik, A. K. Kazansky, R. Kienberger, A. R. Maier, T. Maxwell, T. Mazza, M. Meyer, H. Park, J. S. Robinson, C. Roedig, H. Schlarb, R. Singla, F. Tellkamp, K. Zhang, G. Doumy, C. Behrens, A. L. Cavalieri
Nature Physics 17 (4), 512–518 (2021)
Journal Article
Engineering quantum materials with chiral optical cavities
H. Hübener, U. de Giovannini, C. Schäfer, J. Andberger, M. Ruggenthaler, J. Faist, A. Rubio
Nature Materials 20 (4), 438–442 (2021)
Journal Article
Simulating Vibronic Spectra without Born–Oppenheimer Surfaces
K. Lively, G. Albareda Piquer, S. Sato, A. Kelly, A. Rubio
The Journal of Physical Chemistry Letters 12 (12), 3074–3081 (2021)
Journal Article
Mid infrared polarization engineering via sub-wavelength biaxial hyperbolic van der Waals crystals
S. Dixit, N. R. Sahoo, A. Mall, A. Kumar
Scientific Reports 11, 6612 (2021)
Journal Article
Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison
P. Mehrabi, R. Bücker, G. Bourenkov, H. Ginn, D. von Stetten, H. M. Mueller-Werkmeister, A. Kuo, T. Morizumi, B. Eger, W.-L. Ou, S. Oghbaey, A. Sarracini, J. Besaw, O. Paré-Labrosse, S. Meier, H. Schikora, F. Tellkamp, A. Marx, D. A. Sherrell, D. Axford, R. L. Owen, O. P. Ernst, E. F. Pai, E.-C. Schulz, R. J. D. Miller
Science Advances 7 (12), eabf1380 (2021)
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)
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)
Journal Article
3D diffractive imaging of nanoparticle ensembles using an x-ray laser
K. Ayyer, L. X. Paulraj, 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)

Conference Paper (1)

2021
Conference Paper
Femtosecond Single-Particle Diffractive Imaging of 3D DNA-Origami Molecular Scaffolds with XFEL Pulses
L. X. Paulraj, 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

Thesis - PhD (8)

2021
Thesis - PhD
Condensed Matter Systems in Cavity Quantum Electrodynamics
Universität Hamburg, 2021
Thesis - PhD
Ab initio Strong Light-Matter Theoretical Framework for Phenomena in Non-relativistic Quantum Electrodynamics
Universität Hamburg, 2021
Thesis - PhD
A unifying approximation scheme for density functional theories: A force balance based approach
Universität Hamburg, 2021
Thesis - PhD
Multi-picosecond Ho:YLF-pumped supercontinuum generation and ZnGeP2-based optical parametric amplifiers in the fingerprint regime
Universität Hamburg, 2021
Thesis - PhD
Modelling Light-induced Charge-transfer from Transition-metal-doped Aluminium Clusters to Carbon Dioxide
Universität Hamburg, 2021
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