Publications 2019

Publications 20192022-10-28T16:51:21+02:00

Publications (2019)

Publications sorted by date descending

AutoQML: Automatic generation and training of robust quantum-inspired classifiers by using evolutionary algorithms on grayscale images

Authors: Altares-Lopez, Sergio; Garcia-Ripoll, Juan Jose; Ribeiro, Angela


Publication date: 2024/03/25

DOI: 10.1016/j.eswa.2023.122984

Abstract: A new hybrid system is proposed for automatically generating and training quantum-inspired classifiers on grayscale images by using multiobjective genetic algorithms. It is defined a dynamic fitness function to obtain the smallest circuit complexity and highest accuracy on unseen data, ensuring that the proposed technique is generalizable and robust. At the same time, it is minimized the complexity of the generated circuits in terms of the number of entangling operators by penalizing […]

Exploring Quantum Annealing Architectures: A Spin Glass Perspective

Authors: Jauma, Gabriel; Garcia-Ripoll, Juan Jose; Pino, Manuel


Publication date: 2024/03/14

DOI: 10.1002/qute.202300245

Abstract: This work analyzes the spin-glass transition across various Ising models relevant to quantum annealers. By employing the parallel tempering method, the location of the spin-glass phase transition is extrapolated from the pseudo-critical temperature of finite-sized systems. The results confirm a spin-glass phase at finite temperature in random-regular and small-world graphs, in agreement with previous studies. However, strong evidence is obtained that this phase only occurs at zero temperature in the quasi-2D graphs of […]

Experimental and theoretical assessment of the enhanced hydrogen adsorption on polycyclic aromatic hydrocarbons upon decoration with alkali metals

Authors: Reider, Anna Maria; Kollotzek, Siegfried; Scheier, Paul; Calvo, Florent; Yurtsever, Ersin; Pirani, Fernando; Bartolomei, Massimiliano; Hernandez, Marta I.; Gonzalez-Lezana, Tomas; Campos-Martinez, Jose


Publication date: 2024/03/08

DOI: 10.1016/j.ijhydene.2024.01.244

Abstract: Hydrogen storage by physisorption on carbon-based materials is limited by comparatively low adsorption energies. However, decoration of the carbon substrate with alkali, alkaline earth, or other metal atoms has been proposed as a means to enhance adsorption energies. The decoration affects also the stability of these materials since it makes them more stable and resilient in […]

Deconvolution of JWST/MIRI Images: Applications to an Active Galactic Nucleus Model and GATOS Observations of NGC 5728

Authors: Leist, M. T.; Packham, C.; Rosario, D. J. V.; Hope, D. A.; Alonso-Herrero, A.; Hicks, E. K. S.; Hoenig, S.; Zhang, L.; Davies, R.; Diaz-Santos, T.; Gonzalez-Martin, O.; Bellocchi, E.; Boorman, P. G.; Combes, F.; Garcia-Bernete, I.; Garcia-Burillo, S.; Garcia-Lorenzo, B.; Haidar, H.; Ichikawa, K.; Imanishi, M.; Jefferies, S. M.; Labiano, A.; Levenson, N. A.; Nikutta, R.; Pereira-Santaella, M.; Ramos Almeida, C.; Ricci, C.; Rigopoulou, D.; Schaefer, W.; Stalevski, M.; Ward, M. J.; Fuller, L.; Izumi, T.; Rouan, D.; Shimizu, T.


Publication date: 2024/03/01

DOI: 10.3847/1538-3881/ad1886

Abstract: […]

Directional spontaneous emission in photonic crystal slabs

Authors: Navarro-Baron, Erik P.; Vinck-Posada, Herbert; Gonzalez-Tudela, Alejandro


Publication date: 2024/02/25

DOI: 10.1515/nanoph-2023-0843

Abstract: Spontaneous emission is one of the most fundamental out-of-equilibrium processes in which an excited quantum emitter relaxes to the ground state due to quantum fluctuations. In this process, a photon is emitted that can interact with other nearby emitters and establish quantum correlations between them, e.g., via super and subradiance effects. One way to modify these photon-mediated interactions is to alter the dipole radiation patterns of the emitter, e.g., by placing photonic crystals near them. […]

OH as a probe of the warm-water cycle in planet-forming disks

Authors: Zannese, Marion; Tabone, Benoit; Habart, Emilie; Goicoechea, Javier R.; Zanchet, Alexandre; van Dishoeck, Ewine F.; van Hemert, Marc C.; Black, John H.; Tielens, Alexander G. G. M.; Veselinova, A.; Jambrina, P. G.; Menendez, M.; Verdasco, E.; Aoiz, F. J.; Gonzalez-Sanchez, L.; Trahin, Boris; Dartois, Emmanuel; Berne, Olivier; Peeters, Els; He, Jinhua; Sidhu, Ameek; Chown, Ryan; Schroetter, Ilane; van de Putte, Dries; Canin, Amelie; Alarcon, Felipe; Abergel, Alain; Bergin, Edwin A.; Bernard-Salas, Jeronimo; Boersma, Christiaan; Bron, Emeric; Cami, Jan; Dicken, Daniel; Elyajouri, Meriem; Fuente, Asuncion; Gordon, Karl D.; Issa, Lina; Joblin, Christine; Kannavou, Olga; Khan, Baria; Languignon, David; […]

A kernel-based machine learning potential and quantum vibrational state analysis of the cationic Ar hydride (Ar2H+)

Authors: Montes de Oca-Estevez, Maria Judit; Valdes, Alvaro; Prosmiti, Rita


Publication date: 2024/02/22

DOI: 10.1039/d3cp05865d

Abstract: One of the most fascinating discoveries in recent years, in the cold and low pressure regions of the universe, was the detection of ArH+ and HeH+ species. The identification of such noble gas-containing molecules in space is the key to understanding noble gas chemistry. In the present work, we discuss the possibility of [Ar2H](+) existence as a potentially detectable molecule in the interstellar medium, providing new data on possible astronomical […]

Dynamical effects on the O(3P) + D2 reaction and its impact on the ?-doublet population

Authors: Veselinova, A.; Menendez, M.; Gonzalez-Sanchez, L.; Zanchet, A.; Aoiz, F. J.; Jambrina, P. G.


Publication date: 2024/02/22

DOI: 10.1039/d3cp05510h

Abstract: The O(P-3) + D-2 -> OD((2)Pi) + D reaction presents the peculiarity of taking place on two different potential energy surfaces (PESs) of different symmetry, (3)A ‘ and (3)A ”, which become degenerate for collinear configurations where the saddle-point of the reaction is located. The degeneracy is broken for non-collinear approaches with the energy on the (3)A ‘ PES rising more abruptly with the bending […]

Photodissociation of the CH2Br radical: A theoretical study

Authors: Charfeddine, F.; Zanchet, A.; Yazidi, O.; Cuevas, C. A.; Saiz-Lopez, A.; Banares, L.; Garcia-Vela, A.


Publication date: 2024/02/21

DOI: 10.1063/5.0187546

Abstract: Bromine atom (Br) reactions lead to ozone depletion in the troposphere and stratosphere. Photodegradation of bromocarbons is one of the main sources of bromine atoms in the atmosphere. Here, we use high-level ab initio methods, including spin-orbit effects, to study the photodissociation of the CH2Br radical. All possible fragmentation pathways, namely CH2Br + h nu -> CH2 + Br, HCBr + H, and CBr […]

Indene energetic processing in ice mantles in the interstellar medium

Authors: Mate, Belen; Tanarro, Isabel; Pelaez, Ramon J.; Cernicharo, Jose; Herrero, Victor J.


Publication date: 2024/02/16

DOI: 10.1051/0004-6361/202347889

Abstract: Context. Indene, a small PAH, has been detected in the gas phase in the cold dense cloud TMC-1. Due to the low temperature in the cloud, below indene condensation temperature, its presence in the ice mantles of dust grains is likely. Aims. The aim of this work is to study the stability of indene against the energetic processing by VUV photons or cosmic rays in the ice mantles […]

Study of the HCCNC and HNCCC isotopologs in TMC-1

Authors: Cernicharo, J.; Tercero, B.; Cabezas, C.; Agundez, M.; Roue, E.; Fuentetaja, R.; Marcelino, N.; de Vicente, P.


Publication date: 2024/02/09

DOI: 10.1051/0004-6361/202348822

Abstract: We present the detection of the three C-13 isotopologs of HCCNC and HNCCC toward TMC-1 using the QUIJOTE line survey. In addition, the D species has also been detected for these two isomers of HCCCN, whereas the N-15 isotopolog was only detected for HCCNC. Using high- J lines of HCCNC and HNCCC, we were able to derive very precise rotational temperatures, column densities, […]

Doubly substituted isotopologues of HCCCN in TMC-1: Detection of D13CCCN, DC13CCN, DCC13CN, DCCC15N, H13C13CCN, H13CC13CN, HC13C13CN, HCC13C15N, and HC13CC15N

Authors: Tercero, B.; Marcelino, N.; Roue, E.; Agundez, M.; Cabezas, C.; Fuentetaja, R.; de Vicente, P.; Cernicharo, J.


Publication date: 2024/02/09

DOI: 10.1051/0004-6361/202348929

Abstract: We report the first detection in space of a complete sample of nine doubly substituted isotopologues of HCCCN towards the cyanopolyyne peak of TMC-1 using observations of the QUIJOTE1 line survey taken with the Yebes 40m telescope. We detected (DCCCN)-C-13, (DCCCN)-C-13, (DCCCN)-C-13, (DCCCN)-N-15, (HCCCN)-C-13-C-13, (HCCCN)-C-13-C-13, (HCCCN)-C-13-C-13, (HCCCN)-C-13-N-15, and (HCCCN)-C-13-N-15 through their J = 4-3 and J = 5-4 lines in the 7mm window. […]

Minimal orthonormal bases for pure quantum state estimation

Authors: Zambrano, Leonardo; Pereira, Luciano; Delgado, Aldo

Journal: QUANTUM

Publication date: 2024/02/08


Abstract: We present an analytical method to estimate pure quantum states using a minimum of three measurement bases in any finite -dimensional Hilbert space. This is optimal as two bases are insufficient to construct an informationally complete positive operator -valued measurement (ICPOVM) for pure states. We demonstrate our method using a binary tree structure, providing an algorithmic path for implementation. The performance of the method is evaluated through numerical simulations, showcasing its effectiveness for quantum state estimation.

Structures Of Dust and gAs (SODA): Constraining the innermost dust properties of II Zw96 with JWST observations of H2O and CO

Authors: Garcia-Bernete, I.; Pereira-Santaella, M.; Gonzalez-Alfonso, E.; Rigopoulou, D.; Efstathiou, A.; Donnan, F. R.; Thatte, N.


Publication date: 2024/02/01

DOI: 10.1051/0004-6361/202348744

Abstract: We analyze JWST NIRSpec+MIRI/MRS observations of the infrared (IR) gas-phase molecular bands of the most enshrouded source (D1) within the interacting system and luminous IR galaxy II Zw 096. We report the detection of rovibrational lines of H2O nu(2) = 1 – 0 (similar to 5.3-7.2 mu m) and (CO)-C-12 nu = 1 – 0 (similar to 4.45-4.95 mu m) in D1. The CO band […]

Impact of Early Coherences on the Control of Ultrafast Photodissociation Reactions

Authors: Arcos, Carlos G.; Garcia-Vela, Alberto; Sola, Ignacio R.


Publication date: 2024/01/31

DOI: 10.1021/acs.jpclett.3c03430

Abstract: By coherent control, the yield of photodissociation reactions can be maximized, starting in a suitable superposition of vibrational states. In ultrafast processes, the interfering pathways are born from the early vibrational coherences in the ground electronic potential. We interpret their effect from a purely classical picture, in which the correlation between the initial position and momentum helps to synchronize the vibrational dynamics at the Franck-Condon window when the pulse is […]

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