Publications of the IMPRS-UFAST fellows

Journal Article (152)

2020
Journal Article
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. A. Sato, C. Schäfer, I. Theophilou, A. Welden, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
Journal Article
Pump Frequency Resonances for Light-Induced Incipient Superconductivity in YBa2Cu3O6.5
B. Liu, M. Först, M. Fechner, D. Nicoletti, J. Porras, T. Loew, B. Keimer, A. Cavalleri
Physical Review X 10 (1), 011053 (2020)
Journal Article
Serial protein crystallography in an electron microscope
R. Bücker, P. Hogan-Lamarre, P. Mehrabi, E. C. Schulz, L. Bultema, Y. Gevorkov, W. Brehm, O. Yefanov, D. Oberthür, G. H. Kassier, R. J. D. Miller
Nature Communications 11, 996 (2020)
Journal Article
Mapping Atomic Motions with Electrons: Toward the Quantum Limit to Imaging Chemistry
Z. Li, S. Gyawali, A. A. Ischenko, S. Hayes, R. J. D. Miller
ACS Photonics 7 (2), 296–320 (2020)
Journal Article
Nonadiabatic Electron Dynamics in Tunneling Junctions: Lattice Exchange-Correlation Potential
F. Covito, A. Rubio, F. G. Eich
Journal of Chemical Theory and Computation 16 (1), 295–301 (2020)
Journal Article
Dissociation and localization dynamics of charge transfer excitons at a donor-acceptor interface
H.-G. Duan, A. Jha, V. Tiwari, R. J. D. Miller, M. Thorwart
Chemical Physics 528, 110525 (2020)
Journal Article
Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
C. Schäfer, M. Ruggenthaler, V. Rokaj, A. Rubio
ACS Photonics xxxx (xxx), xxx-xxx (2020)
2019
Journal Article
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
N. Hoffmann, C. Schäfer, N. Säkkinen, A. Rubio, H. Appel, A. Kelly
The Journal of Chemical Physics 151 (24), 244113 (2019)
Journal Article
Rapid deconvolution of low-resolution time-of-flight data using Bayesian inference
C. L. Pieterse, M. B. de Kock, W. Robertson, H. C. Eggers, R. J. D. Miller
The Journal of Chemical Physics 151 (24), 244307 (2019)
Journal Article
Low-signal limit of X-ray single particle diffractive imaging
K. Ayyer, A. J. Morgan, A. Aquila, H. DeMirci, B. G. Hogue, R. A. Kirian, L. X. Paulraj, C. H. Yoon, H. N. Chapman, A. Barty
Optics Express 27 (26), 37816–37833 (2019)
Journal Article
Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
F. Buchholz, I. Theophilou, S. E. B. Nielsen, M. Ruggenthaler, A. Rubio
ACS Photonics 6 (11), 2694–2711 (2019)
Journal Article
Light–Matter Response in Nonrelativistic Quantum Electrodynamics
J. Flick, D. Welakuh, M. Ruggenthaler, H. Appel, A. Rubio
ACS Photonics 6 (11), 2757–2778 (2019)
Journal Article
Spectroscopic Signature of Chemical Bond Dissociation Revealed by Calculated Core-Electron Spectra
L. Inhester, Z. Li, X. Zhu, N. Medvedev, T. J. A. Wolf
The Journal of Physical Chemistry Letters 10 (21), 6536–6544 (2019)
Journal Article
Efficient computation of the second-Born self-energy using tensor-contraction operations
R. Tuovinen, F. Covito, M. A. Sentef
The Journal of Chemical Physics 151 (17), 174110 (2019)
Journal Article
Force balance approach for advanced approximations in density functional theories
M.-L. Tchenkoue Djouom, M. Penz, I. Theophilou, M. Ruggenthaler, A. Rubio
The Journal of Chemical Physics 151 (15), 154107 (2019)
Journal Article
Floquet-engineered light-cone spreading of correlations in a driven quantum chain
M. Kalthoff, D. M. Kennes, M. A. Sentef
Physical Review B 100 (16), 165125 (2019)
Journal Article
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
U. Mordovina, T. Reinhard, I. Theophilou, H. Appel, A. Rubio
Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019)
Journal Article
Topological Floquet engineering of twisted bilayer graphene
G. Topp, G. Jotzu, J. W. McIver, L. Xian, A. Rubio, M. A. Sentef
Physical Review Research 1 (2), 023031 (2019)
Journal Article
Time-resolved crystallography reveals allosteric communication aligned with molecular breathing
P. Mehrabi, E. C. Schulz, R. Dsouza, H. M. Müller-Werkmeister, F. Tellkamp, R. J. D. Miller, E. F. Pai
Science 365 (6458), 1167–1170 (2019)
Journal Article
Ultrafast ring-opening and solvent-dependent product relaxation of photochromic spironaphthopyran
S. Bittmann, R. Dsouza, K. M. Siddiqui, S. A. Hayes, A. Rossos, G. Corthey, M. Kochman, V. I. Prokhorenko, R. S. Murphy, H. Schwoerer, R. J. D. Miller
Physical Chemistry Chemical Physics 21 (33), 18119–18127 (2019)
Journal Article
NetKet: A machine learning toolkit for many-body quantum systems
G. Carleo, K. Choo, D. Hofmann, J. E. T. Smith, T. Westerhout, F. Alet, E. J. Davis, S. Efthymiou, I. Glasser, S.-H. Lin, M. Mauri, G. Mazzola, C. B. Mendl, E. van Nieuwenburg, O. O’Reilly, H. Théveniaut, G. Torlai, F. Vicentini, A. Wietek
SoftwareX 10, 100311 (2019)
Journal Article
Exact Potential Energy Surface for Molecules in Cavities
L. Lacombe, N. Hoffmann, N. T. Maitra
Physical Review Letters 123 (8), 083201 (2019)
Journal Article
3D Micromachined Polyimide Mixing Devices for in Situ X-ray Imaging of Solution-Based Block Copolymer Phase Transitions
M. Vakili, S. Merkens, Y. Gao, P. V. Gwozdz, R. Vasireddi, L. Sharpnack, A. Meyer, R. H. Blick, M. Trebbin
Langmuir 35 (32), 10435–10445 (2019)
Journal Article
Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields
V. Rokaj, M. Penz, M. A. Sentef, M. Ruggenthaler, A. Rubio
Physical Review Letters 123 (4), 047202 (2019)
Journal Article
Charge density wave melting in one-dimensional wires with femtosecond subgap excitation
M. Chavez Cervantes, G. Topp, S. Aeschlimann, R. Krause, S. A. Sato, M. A. Sentef, I. Gierz
Physical Review Letters 123 (3), 036405 (2019)
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