Publications of C. Schäfer

Journal Article (12)

2021
Journal Article
The ferroelectric photo ground state of SrTiO3: Cavity materials engineering
Proceedings of the National Academy of Sciences of the United States of America 118 (31), e2105618118 (2021)
Journal Article
Quantum paraelectric phase of SrTiO3 from first principles
Physical Review B 104 (6), L060103 (2021)
Journal Article
Engineering quantum materials with chiral optical cavities
Nature Materials 20 (4), 438–442 (2021)
Journal Article
Intermolecular interactions in optical cavities: An ab initio QED study
T. S. Haugland, C. Schäfer, E. Ronca, A. Rubio, H. Koch
The Journal of Chemical Physics 154 (9), 094113 (2021)
Journal Article
Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties
The Journal of Physical Chemistry Letters 12 (1), 508–516 (2021)
2020
Journal Article
Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
ACS Photonics 7 (4), 975–990 (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. Sato, C. Schäfer, I. Theophilou, A. Welden, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
2019
Journal Article
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
The Journal of Chemical Physics 151 (24), 244113 (2019)
Journal Article
Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
Physical Review A 99 (6), 063819 (2019)
Journal Article
Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry
Proceedings of the National Academy of Sciences of the United States of America 116 (11), 4883–4892 (2019)
2018
Journal Article
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
Physical Review A 98, 043801 (2018)
Journal Article
Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
ACS Photonics 5 (3), 992–1005 (2018)

Poster (1)

2015
Poster
Krieger-Li-Iafrate approximation to the optimized effective potential approach in density functional theory for quantum electrodynamics
C. Schäfer, J. Flick, H. Appel, C. Pellegrini, A. Rubio

Thesis - PhD (1)

2020
Thesis - PhD
On the interface of quantum electrodynamics and electronic structure theory: Cavity QED
Universität Hamburg, 2020

Working Paper (5)

2021
Working Paper
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
(2021)
Working Paper
Making ab initio QED functional(s): Non-perturbative and photon-free effective frameworks for strong light-matter coupling
(2021)
Working Paper
Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO3
(2021)
Working Paper
Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity
C. Schäfer, J. Flick, E. Ronca, P. Narang, A. Rubio
(2021)
2018
Working Paper
Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond
(2018)
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