Understanding polaritonic chemistry from ab initio quantum electrodynamics M Ruggenthaler, D Sidler, A Rubio Chemical Reviews 123 (19), 11191-11229, 2023 | 112 | 2023 |
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 |
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), 2022 | 86 | 2022 |
Quantitative sampling of atomic-scale electromagnetic waveforms D Peller, C Roelcke, LZ Kastner, T Buchner, A Neef, J Hayes, F Bonafé, ... Nature Photonics 15 (2), 143-147, 2021 | 64 | 2021 |
Cavity born–oppenheimer hartree–fock ansatz: Light–matter properties of strongly coupled molecular ensembles T Schnappinger, D Sidler, M Ruggenthaler, A Rubio, M Kowalewski The Journal of Physical Chemistry Letters 14 (36), 8024-8033, 2023 | 46 | 2023 |
Chemistry in quantum cavities: Exact results, the impact of thermal velocities, and modified dissociation D Sidler, M Ruggenthaler, H Appel, A Rubio The Journal of Physical Chemistry Letters 11 (18), 7525-7530, 2020 | 39 | 2020 |
Unraveling a Cavity-Induced Molecular Polarization Mechanism from Collective Vibrational Strong Coupling D Sidler, T Schnappinger, A Obzhirov, M Ruggenthaler, M Kowalewski, ... The Journal of Physical Chemistry Letters 15 (19), 5208-5214, 2024 | 38 | 2024 |
Efficient round-trip time optimization for replica-exchange enveloping distribution sampling (RE-EDS) D Sidler, M Cristòfol-Clough, S Riniker Journal of chemical theory and computation 13 (6), 3020-3030, 2017 | 32 | 2017 |
Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation D Sidler, A Schwaninger, S Riniker The Journal of chemical physics 145 (15), 2016 | 27 | 2016 |
Determination of Absolute Stereochemistry of Flexible Molecules Using a Vibrational circular dichroism spectra alignment algorithm L Böselt, D Sidler, T Kittelmann, J Stohner, D Zindel, T Wagner, ... Journal of chemical information and modeling 59 (5), 1826-1838, 2019 | 18 | 2019 |
Fast Nosé–Hoover thermostat: molecular dynamics in quasi-thermodynamic equilibrium D Sidler, S Riniker Physical Chemistry Chemical Physics 21 (11), 6059-6070, 2019 | 16 | 2019 |
Beyond the rosenfeld equation: computation of vibrational circular dichroism spectra for anisotropic solutions D Sidler, P Bleiziffer, S Riniker Journal of chemical theory and computation 15 (4), 2492-2503, 2019 | 10 | 2019 |
Anisotropic reaction field correction for long-range electrostatic interactions in molecular dynamics simulations D Sidler, S Frasch, M Cristòfol-Clough, S Riniker The Journal of chemical physics 148 (23), 2018 | 9 | 2018 |
Mapping the age of ice of Gauligletscher combining surface radionuclide contamination and ice flow modeling G Jouvet, S Röllin, H Sahli, J Corcho, L Gnägi, L Compagno, D Sidler, ... The Cryosphere 14 (11), 4233-4251, 2020 | 8 | 2020 |
Analytic model for molecules under collective vibrational strong coupling in optical cavities J Horak, D Sidler, WM Huang, M Ruggenthaler, A Rubio arXiv preprint arXiv:2401.16374, 2024 | 6 | 2024 |
Density artefacts at interfaces caused by multiple time-step effects in molecular dynamics simulations D Sidler, M Lehner, S Frasch, M Cristófol-Clough, S Riniker F1000Research 7, 1745, 2019 | 6 | 2019 |
Exact solution for a real polaritonic system under vibrational strong coupling in thermodynamic equilibrium: Absence of zero temperature and loss of light-matter entanglement D Sidler, M Ruggenthaler, A Rubio arXiv preprint arXiv:2208.01326, 2022 | 4 | 2022 |
Numerically exact solution for a real polaritonic system under vibrational strong coupling in thermodynamic equilibrium: loss of light–matter entanglement and enhanced fluctuations D Sidler, M Ruggenthaler, A Rubio Journal of Chemical Theory and Computation 19 (23), 8801-8814, 2023 | 3 | 2023 |
Dating the ice of Gauligletscher, Switzerland, based on surface radionuclide contamination and ice flow modeling G Jouvet, S Röllin, H Sahli, J Corcho, L Gnägi, L Compagno, D Sidler, ... The Cryosphere Discussions 2020, 1-28, 2020 | 3 | 2020 |
The connection of polaritonic chemistry with the physics of a spin glass D Sidler, M Ruggenthaler, A Rubio arXiv preprint arXiv:2409.08986, 2024 | 2 | 2024 |