Zobrazeno 1 - 10
of 9 559
pro vyhledávání: '"Vendrell, A."'
Autor:
Vendrell, Joan, Kia, Solmaz
This paper considers the problem of decentralized submodular maximization subject to partition matroid constraint using a sequential greedy algorithm with probabilistic inter-agent message-passing. We propose a communication-aware framework where the
Externí odkaz:
http://arxiv.org/abs/2409.09979
Autor:
Rodríguez-Cuenca, Emilio, Picón, Antonio, Oberli, Solène, Kuleff, Alexander I., Vendrell, Oriol
Publikováno v:
Phys. Rev. Lett. 132, 263202 (2024)
We study the ultrafast dynamics initiated by a coherent superposition of core-excited states of nitrous oxide molecule. Using high-level \textit{ab-initio} methods, we show that the decoherence caused by the electronic decay and the nuclear dynamics
Externí odkaz:
http://arxiv.org/abs/2406.19387
We investigate theoretically the influence of strong light-matter coupling on the initial steps of the photo-triggered singlet-fission process. In particular we focus on intra-molecular singlet fission in a TIPS-pentacene dimer derivative described b
Externí odkaz:
http://arxiv.org/abs/2406.03638
Recent advancements in ultrashort and intense X-ray sources have enabled the utilisation of resonant inelastic X-ray scattering (RIXS) as a probing technique for monitoring photoinduced dynamics in molecular systems. To account for dynamic phenomena
Externí odkaz:
http://arxiv.org/abs/2403.11005
Permanent electronic ring currents can be supported within a manifold of $\Gamma_E$ degenerate excited electronic states as $E_{\pm} = E_x \pm i E_y$ excitations. This requires at least a 3-fold-symmetry rotational axis or higher, and includes the su
Externí odkaz:
http://arxiv.org/abs/2403.00328
Publikováno v:
J. Chem. Phys. 160, 064109 (2024)
We propose an approach to represent the second-quantized electronic Hamiltonian in a compact sum-of-products (SOP) form. The approach is based on the canonical polyadic decomposition (CPD) of the original Hamiltonian projected onto the sub-Fock space
Externí odkaz:
http://arxiv.org/abs/2402.12919
Autor:
Mellado, Martin, Vendrell, Eduardo, Ferrucci, Filomena, Abate, Andrea, Zuhlke, Detlef, Riera, Bernard
This paper presents the design, objectives, experiences, and results of an international cooperation project funded by the European Commission in the context of the Erasmus Intensive Programme (IP, for short) designed to improve students' curricula.
Externí odkaz:
http://arxiv.org/abs/2403.15398
Autor:
Krupp, Niclas, Vendrell, Oriol
We consider an ensemble of homonuclear diatomic molecules coupled to the two polarization directions of a Fabry-P\'erot cavity via fully quantum simulations. Accompanied by analytical results, we identify a coupling mechanism mediated simultaneously
Externí odkaz:
http://arxiv.org/abs/2401.10723
Autor:
Sun, Jing, Vendrell, Oriol
The modification of thermal chemical rates in Fabry-Perot cavities, as observed in experiments, still poses theoretical challenges. While we have a better grasp of how the reactivity of isolated molecules and model systems changes under strong coupli
Externí odkaz:
http://arxiv.org/abs/2308.03609
Autor:
Erkin Kuru, Jonathan Rittichier, Helena de Puig, Allison Flores, Subhrajit Rout, Isaac Han, Abigail E. Reese, Thomas M. Bartlett, Fabio De Moliner, Sylvie G. Bernier, Jason D. Galpin, Jorge Marchand, William Bedell, Lindsey Robinson-McCarthy, Christopher A. Ahern, Thomas G. Bernhardt, David Z. Rudner, James J. Collins, Marc Vendrell, George M. Church
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-14 (2024)
Abstract Binding-activated optical sensors are powerful tools for imaging, diagnostics, and biomolecular sensing. However, biosensor discovery is slow and requires tedious steps in rational design, screening, and characterization. Here we report on a
Externí odkaz:
https://doaj.org/article/8c008f8b3019484da6521bb74160e592