Publications (2019)
Publications sorted by date descending
Microsolvation of cationic alkali dimers in helium: quantum delocalization and solid-like/liquid-like behaviors of He shells
Authors: Yanes-Rodriguez, Raquel; Villarreal, Pablo; Prosmiti, Rita
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publication date: 2025/04/16
DOI: 10.1039/d5cp00318k
Abstract: We performed path-integral molecular dynamics (PIMD) simulations in the NVT ensemble to investigate the quantum solvation of Li2+ in He nanoclusters at a low temperature of 2 K. The interaction potentials were modeled using a sum-of-potentials approach, incorporating automated learning ab initio-based models up to three-body terms. Additionally, the semiclassical quadratic Feynman-Hibbs approach was applied to incorporate quantum effects into classical computations effectively, enabling the study of HeNLi2+ complexes with up to 50 […]
Adsorption of molecular hydrogen on extended graphene prototypes decorated with sodium: a quantum-mechanical study
Authors: Garcia-Arroyo, Esther; Bartolomei, Massimiliano; Hernandez, Marta, I; Gonzalez-Lezana, Tomas; Mella, Massimo; Campos-Martinez, Jose
Journal: PHYSICA SCRIPTA
Publication date: 2025/01/01
Abstract: This paper presents a study of sodium-decorated circumcircumcoronene, a large polycyclic aromatic hydrocarbon (PAH) regarded as a graphene prototype, and the complexes formed upon aggregation of hydrogen molecules on this substrate. Accurate force fields based on high level electronic structure calculations have been built using a rigid rotor model for the hydrogen molecules as well as a corresponding pseudo-atom approximation, aimed to pursue larger compounds where a simpler […]
Validation of millimetre and sub-millimetre atmospheric collision-induced absorption at Chajnantor
Authors: Pardo, J. R.; De Breuck, C.; Muders, D.; Gonzalez, J.; Perez-Beaupuits, J. P.; Cernicharo, J.; Prigent, C.; Serabyn, E.; Montenegro-Montes, F. M.; Mroczkowski, T.; Phillips, N.; Villard, E.
Journal: ASTRONOMY & ASTROPHYSICS
Publication date: 2025/02/13
DOI: 10.1051/0004-6361/202452159
Abstract: Due to the importance of a reference atmospheric radiative transfer model for both planning and calibrating ground-based observations at millimetre and sub-millimetre wavelengths, we have undertaken a validation campaign consisting of acquiring atmospheric spectra under different weather conditions, in different diurnal moments and seasons, with the Atacama Pathfinder EXperiment (APEX), due to […]
Non-adiabatic photodissociation dynamics of vinyl iodide from n?* and n?* transitions
Authors: Murillo-Sanchez, Marta L.; Poullain, Sonia Marggi; Limao-Vieira, Paulo; Zanchet, Alexandre; de Oliveira, Nelson; Gonzalez-Vazquez, Jesus; Banares, Luis
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publication date: 2025/04/16
DOI: 10.1039/d5cp00236b
Abstract: The photodissociation dynamics of vinyl iodide upon photoexcitation at 199.2 and 200 nm are investigated in a joint theoretical and experimental study. The gas-phase absorption spectrum measured by Fourier transform spectroscopy along with the use of synchrotron radiation is reported and a reassignment of the excited electronic states responsible for the absorption at the energy range of interest is proposed. Femtosecond time-resolved […]
Microsolvation of cationic alkali dimers in helium: quantum delocalization and solid-like/liquid-like behaviors of He shells
Authors: Yanes-Rodriguez, Raquel; Villarreal, Pablo; Prosmiti, Rita
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publication date: 2025/04/16
DOI: 10.1039/d5cp00318k
Abstract: We performed path-integral molecular dynamics (PIMD) simulations in the NVT ensemble to investigate the quantum solvation of Li2+ in He nanoclusters at a low temperature of 2 K. The interaction potentials were modeled using a sum-of-potentials approach, incorporating automated learning ab initio-based models up to three-body terms. Additionally, the semiclassical quadratic Feynman-Hibbs approach was applied to incorporate quantum effects into classical computations effectively, enabling the study of HeNLi2+ complexes with up to 50 […]
On unveiling buried nuclei with JWST: A technique for hunting the most obscured galaxy nuclei from local to high redshift
Authors: Garcia-Bernete, I.; Donnan, F. R.; Rigopoulou, D.; Pereira-Santaella, M.; Gonzalez-Alfonso, E.; Thatte, N.; Aalto, S.; Konig, S.; Maksymowicz-Maciata, M.; Smith, M. W. R.; Huang, J. -s.; Magdis, G. E.; Roche, P. F.; Devriendt, J.; Slyz, A.
Journal: ASTRONOMY & ASTROPHYSICS
Publication date: 2025/04/10
DOI: 10.1051/0004-6361/202452455
Abstract: We analyze JWST NIRSpec+MIRI/MRS observations of the infrared (IR) polycyclic aromatic hydrocarbon (PAH) features in the central regions (similar to 0.26 ” at 6 mu m; similar to 50-440 pc depending on the source) of local luminous IR galaxies. In this work, we examine […]
Majorana bound states from cavity embedding in an interacting two-site Kitaev chain
Authors: Gomez-Leon, Alvaro; Schiro, Marco; Dmytruk, Olesia
Journal: PHYSICAL REVIEW B
Publication date: 2025/04/09
DOI: 10.1103/PhysRevB.111.155410
Abstract: Poor man’s Majorana bound states (MBS) arise in minimal Kitaev chains when the parameters are fine-tuned to a sweet spot. We consider an interacting two-site Kitaev chain coupled to a single-mode cavity and show that the sweet spot condition can be controlled with the cavity frequency and the hopping between sites. Furthermore, we demonstrate that photon-mediated effective interactions can be used to screen intrinsic interactions, improving the original quality of the MBS. We describe […]
Digital simulation of zero-temperature spontaneous symmetry breaking in a superconducting lattice processor
Authors: Hu, Chang-Kang; Xie, Guixu; Poulsen, Kasper; Zhou, Yuxuan; Chu, Ji; Liu, Chilong; Zhou, Ruiyang; Yuan, Haolan; Shen, Yuecheng; Liu, Song; Zinner, Nikolaj T.; Tan, Dian; Santos, Alan C.; Yu, Dapeng
Journal: NATURE COMMUNICATIONS
Publication date: 2025/04/07
DOI: 10.1038/s41467-025-57812-8
Abstract: Quantum simulators are ideal platforms to investigate quantum phenomena that are inaccessible through conventional means, such as the limited resources of classical computers to address large quantum systems or due to constraints imposed by fundamental laws of nature. Here, through a digitized adiabatic evolution, we report an experimental simulation of antiferromagnetic […]
New sub-millimetre HCN lasers in carbon-rich evolved stars
Authors: Yang, W.; Wong, K. T.; Wiesemeyer, H.; Menten, K. M.; Gong, Y.; Cernicharo, J.; De Beck, E.; Klein, B.; Duran, C. A.
Journal: ASTRONOMY & ASTROPHYSICS
Publication date: 2025/04/04
DOI: 10.1051/0004-6361/202453136
Abstract: Context. Strong laser emission from hydrogen cyanide (HCN) at 805 and 891 GHz has been discovered towards carbon-rich (C-rich) asymptotic giant branch (AGB) stars. Both lines belong to the Coriolis-coupled system between the (1,11e,0) and (0,40,0) vibrational states, which has been extensively studied in early molecular spectroscopy in the laboratory. However, the other lines in this system with […]
Scalable quantum eraser with superconducting integrated circuits
Authors: Diniz, Ciro Micheletti; Villas-Boas, Celso J.; Santos, Alan C.
Journal: QUANTUM SCIENCE AND TECHNOLOGY
Publication date: 2025/04/01
Abstract: A fast and scalable scheme for multi-qubit resetting in superconducting quantum processors is proposed by exploiting the feasibility of frequency-tunable transmon qubits and transmon-like couplers to engineer a full programmable superconducting erasing head. We demonstrate the emergence of collective effects that lead to a decoherence-free subspace during the erasing process. The presence of such a subspace negatively impacts the device’s performance and has been overlooked in other multi-qubit chips. To […]
Long-Range Interactions in Weyl-Dense Atomic Arrays Protected from Dissipation and Disorder
Authors: Garcia-Elcano, Inaki; Huidobro, Paloma A.; Bravo-Abad, Jorge; Gonzalez-Tudela, Alejandro
Journal: PHYSICAL REVIEW LETTERS
Publication date: 2025/03/28
DOI: 10.1103/PhysRevLett.134.123602
Abstract: Long-range interactions are a key resource in many quantum phenomena and technologies. Free-space photons mediate power-law interactions but lack tunability and suffer from decoherence processes due to their omnidirectional emission. Engineered dielectrics can yield tunable and coherent interactions, but typically at the expense of making them both shorter ranged and sensitive to material disorder and photon loss. Here, we propose a platform that can circumvent all these limitations based on three-dimensional […]
Exact Quantization of Nonreciprocal Quasilumped Electrical Networks
Authors: Parra-Rodriguez, A.; Egusquiza, I. L.
Journal: PHYSICAL REVIEW X
Publication date: 2025/03/28
DOI: 10.1103/PhysRevX.15.011072
Abstract: Following a consistent geometrical description previously introduced [Quantum 8, 1466 (2024)], we present an exact method for obtaining canonically quantizable Hamiltonian descriptions of nonlinear, nonreciprocal quasilumped electrical networks. We identify and classify singularities arising in the quest for Hamiltonian descriptions of general quasilumped element networks via the Faddeev-Jackiw technique. We offer systematic solutions to cases previously considered singular-a major challenge in the context of canonical circuit quantization. The solution relies on the correct identification of […]
Dipole-dipole interactions mediated by a photonic flat band
Authors: Di Benedetto, Enrico; Gonzalez-Tudela, Alejandro; Ciccarello, Francesco
Journal: QUANTUM
Publication date: 2025/03/25
Abstract: Flat bands (FBs) are energy bands with zero group velocity, which in electronic systems were shown to favor strongly correlated phenomena. Indeed, a FB can be spanned with a basis of strictly localized states, the so called compact localized states (CLSs), which are yet generally non-orthogonal. Here, we study emergent dipole-dipole interactions between emitters dispersively coupled to the photonic analogue of a FB, a setup within reach in state-of the-art experimental platforms. We show that […]
The large PAH sumanene: laboratory rotational spectroscopy and astronomical search
Authors: Moran, Jose R.; Cabezas, Carlos; Hussain, Farha S.; Perez, Cristobal; Cernicharo, Jose; Steber, Amanda L.; Pena, Isabel
Journal: MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
Publication date: 2025/03/24
Abstract: The recent interstellar detection of individual polycyclic aromatic hydrocarbons (PAHs) in the Taurus Molecular Cloud (TMC-1) brings with it interest in related species that could be present in this astronomical environment. The interstellar PAHs detected in TMC-1 consist of a few pure PAHs while the majority that have been detected are their cyano-derivative counterparts due to their larger dipole […]
The many faces of vibrational energy relaxation in N2(v) + O(1D) collisions: Dynamics on 1? and 1? potential energy surfaces
Authors: Hong, Qizhen; Bartolomei, Massimiliano; Pirani, Fernando; Sun, Quanhua; Coletti, Cecilia
Journal: JOURNAL OF CHEMICAL PHYSICS
Publication date: 2025/03/21
DOI: 10.1063/5.0255380
Abstract: Complete datasets of rate coefficients for the vibrational quenching of molecular nitrogen by collision with electronically excited atomic oxygen O(D-1) over a wide temperature range are calculated for the first time. Such data are important ingredients in the modeling of non-local thermal equilibrium conditions that characterize the atmosphere, media of astronomical interest, and cold and hot plasmas, where O(D-1), also formed when O-2 molecules break, represents a significant fraction […]