| Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ... The Journal of Chemical Physics 152 (12), 124119, 2020 | 365 | 2020 |
| Engineering quantum materials with chiral optical cavities H Hübener, U De Giovannini, C Schäfer, J Andberger, M Ruggenthaler, ... Nature Materials 20 (4), 438-442, 2021 | 244 | 2021 |
| Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling C Schäfer, M Ruggenthaler, A Rubio Physical Review A 98 (4), 043801, 2018 | 223 | 2018 |
| Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry C Schäfer, M Ruggenthaler, H Appel, A Rubio Proceedings of the National Academy of Sciences 116 (11), 4883-4892, 2019 | 215 | 2019 |
| Relevance of the quadratic diamagnetic and self-polarization terms in cavity quantum electrodynamics C Schäfer, M Ruggenthaler, V Rokaj, A Rubio ACS photonics 7 (4), 975-990, 2020 | 195 | 2020 |
| Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity C Schäfer, J Flick, E Ronca, P Narang, A Rubio Nature Communications 13 (1), 7817, 2022 | 154 | 2022 |
| Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State J Flick, C Schäfer, M Ruggenthaler, H Appel, A Rubio ACS photonics 5 (3), 992-1005, 2018 | 153 | 2018 |
| Intermolecular interactions in optical cavities: An ab initio QED study TS Haugland, C Schäfer, E Ronca, A Rubio, H Koch The Journal of Chemical Physics 154 (9), 094113, 2021 | 133 | 2021 |
| 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, 2020 | 107 | 2020 |
| The ferroelectric photo ground state of SrTiO3: Cavity materials engineering S Latini, D Shin, SA Sato, C Schäfer, U De Giovannini, H Hübener, ... Proceedings of the National Academy of Sciences 118 (31), e2105618118, 2021 | 104 | 2021 |
| GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ... The Journal of Chemical Physics 160 (9), 2024 | 87 | 2024 |
| A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity D Sidler, M Ruggenthaler, C Schäfer, E Ronca, A Rubio The Journal of Chemical Physics 156 (23), 230901, 2022 | 86 | 2022 |
| 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 118 (41), e2110464118, 2021 | 71 | 2021 |
| Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference NM Hoffmann, C Schäfer, N Säkkinen, A Rubio, H Appel, A Kelly The Journal of Chemical Physics 151 (24), 244113, 2019 | 61 | 2019 |
| Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics NM Hoffmann, C Schäfer, A Rubio, A Kelly, H Appel Physical Review A 99 (6), 063819, 2019 | 60 | 2019 |
| Toward molecular chiral polaritons DG Baranov, C Schäfer, MV Gorkunov ACS Photonics 10 (8), 2440-2455, 2023 | 44 | 2023 |
| Quantum paraelectric phase of from first principles D Shin, S Latini, C Schäfer, SA Sato, U De Giovannini, H Hübener, ... Physical Review B 104 (6), L060103, 2021 | 43 | 2021 |
| Polaritonic chemistry from first principles via embedding radiation reaction C Schäfer The Journal of Physical Chemistry Letters 13 (30), 6905-6911, 2022 | 42 | 2022 |
| Chiral Polaritonics: Analytical Solutions, Intuition, and Use C Schäfer, DG Baranov The Journal of Physical Chemistry Letters 14 (15), 3777-3784, 2023 | 38 | 2023 |
| Shortcut to self-consistent light-matter interaction and realistic spectra from first principles C Schäfer, G Johansson Physical Review Letters 128 (15), 156402, 2022 | 34 | 2022 |
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHH在 mpsd.mpg.de 的电子邮件经过验证