Zobrazeno 1 - 10
of 202
pro vyhledávání: '"Irene Burghardt"'
Autor:
Pauline J Ollitrault, Sven Jandura, Alexander Miessen, Irene Burghardt, Rocco Martinazzo, Francesco Tacchino, Ivano Tavernelli
Publikováno v:
Quantum, Vol 7, p 1139 (2023)
The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum dynamics in first quantization. In addition to the usual reduction in c
Externí odkaz:
https://doaj.org/article/7995b0abc045492a92dc0101a6d09742
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-8 (2018)
Myoglobin bound to carbon monoxide undergoes an ultrafast light-induced reaction, which ends up in a photolyzed carbon monoxide and a spin transition of the iron center. Here, the authors employ quantum wavepacket dynamics to show that photolysis pre
Externí odkaz:
https://doaj.org/article/ded3079869fb4ffcb489799f6b572ef1
Autor:
Andreas Buchleitner, Irene Burghardt, Yuan-Chung Cheng, Gregory D Scholes, Ulrich T Schwarz, Alexander Weber-Bargioni, Thomas Wellens
Publikováno v:
New Journal of Physics, Vol 16, Iss 10, p 105021 (2014)
Technologies which convert light into energy, and vice versa, rely on complex, microscopic transport processes in the condensed phase, which obey the laws of quantum mechanics, but hitherto lack systematic analysis and modeling. Given our much improv
Externí odkaz:
https://doaj.org/article/5f32eb68989e4eacbab9668fd92f7911
Autor:
Luuk J. G. W. van Wilderen, Daniela Kern-Michler, Carsten Neumann, Matiss Reinfelds, Jan von Cosel, Maximiliane Horz, Irene Burghardt, Alexander Heckel, Jens Bredenbeck
Publikováno v:
Chemical Science. 14:2624-2630
Combine IR selectivity with UV induced photochemistry. Tune the wavenumber of the IR excitation to the resonance of a specific photocage isotopologue and release the desired leaving group.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd53038d9519fc6bd9e9eb94661fd130
https://doi.org/10.1039/d2sc06259c
https://doi.org/10.1039/d2sc06259c
Publikováno v:
Journal of the American Chemical Society. 144:23492-23504
Singlet fission in covalently bound acene dimers in solution is driven by the interplay of excitonic and singlet correlated triplet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9cb068690b5ce9434a0f89385b57c4df
https://doi.org/10.1021/jacs.2c10129
https://doi.org/10.1021/jacs.2c10129
Autor:
Gabriele D’Avino, Rainer Hegger, Dominik Brey, Praveen K. Budakoti, Stéphane Méry, Irene Burghardt
Publikováno v:
The Journal of Physical Chemistry C. 126:9762-9776
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::243d1938ad622a90e8ba4fc583bacf44
https://doi.org/10.1021/acs.jpcc.2c00527
https://doi.org/10.1021/acs.jpcc.2c00527
Autor:
Marc Alías-Rodríguez, Martina Basini, Lara Benfatto, Yorrick Boeije, Irene Burghardt, Andrew Burnett, Lin Chen, Eric Collet, Rory Cowin, Ilya Eremin, Graham Fleming, Aswathy V. Girija, Kunio Ishida, Shinichiro Iwai, J. Olof Johansson, Steven L. Johnson, Kota Katsumi, James McCusker, Christophe Odin, Matteo Puviani, Jan M. Rost, Habib Rostami, Mattia Udina, Julia Weinstein
Publikováno v:
Faraday Discussions. 237:198-223
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1800b06df2d20d0af1ce55d1887d68e4
https://doi.org/10.1039/d2fd90036j
https://doi.org/10.1039/d2fd90036j
Autor:
Maximiliane Horz, Hafiz M. A. Masood, Hendrik Brunst, Javier Cerezo, David Picconi, Hannah Vormann, Madhava Shyam Niraghatam, Luuk J. G. W. van Wilderen, Jens Bredenbeck, Fabrizio Santoro, Irene Burghardt
Publikováno v:
The Journal of Chemical Physics. AMER INST PHYSICS
Following up on our previous work on vibrationally resolved electronic absorption spectra including the effect of vibrational pre-excitation [von Cosel et al., J. Chem. Phys. 147, 164116 (2017)], we present a combined theoretical and experimental stu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::432117f0d8575d512352f0582f56dfcb
https://doi.org/10.1063/5.0132608
https://doi.org/10.1063/5.0132608
Publikováno v:
Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (45), pp.25030-25043. ⟨10.1021/acs.jpcc.1c06374⟩
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (45), pp.25030-25043. ⟨10.1021/acs.jpcc.1c06374⟩
International audience; We report on high-dimensional quantum dynamical simulations of electron−hole separation in self-assembled mesomorphic nanostructures composed of donor−acceptor conjugated co-oligomers. The latter are based on perylene diim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::697c944fe054ddd38e3ac9cf384a3789
https://doi.org/10.1021/acs.jpcc.1c06374
https://doi.org/10.1021/acs.jpcc.1c06374
Autor:
Wei-Tao Peng, Dominik Brey, Samuele Giannini, David Dell’Angelo, Irene Burghardt, Jochen Blumberger
Publikováno v:
The journal of physical chemistry letters. 13(31)
Quantum dynamical simulations are essential for a molecular-level understanding of light-induced processes in optoelectronic materials, but they tend to be computationally demanding. We introduce an efficient mixed quantum-classical nonadiabatic mole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07120254887364962d5edee70d9cccc0
https://pubmed.ncbi.nlm.nih.gov/35900333
https://pubmed.ncbi.nlm.nih.gov/35900333