Publications 20192020-01-30T15:23:08+01:00

Publications (2019)

Publications sorted by date descending

JAE Intro IFF 2021 bis – Relación provisional de admitidos y excluidos

Documento de relación provisional de admitidos y excluidos al proceso de selección (10 días hábiles a partir del 13/07/22 para subsanación de solicitudes excluidas mediante escrito por correo electrónico a info.iff [at] con asunto: “Subsanación JAE Intro ICU IFF-CSIC” )

IFF-CSIC: Convocadas plazas de Científico Titular acceso libre

Se ofertan plazas de Científico Titular con destino al IFF-CSIC (entre otros institutos) con los siguientes perfiles:

TECNOLOGÍAS CUÁNTICAS (tribunal número 39), dos plazas del turno general y una del turno de reserva

QUÍMICA COMPUTACIONAL Y MODELIZACIÓN (tribunal número 47), dos plazas de turno general y dos del turno de reserva

Plazo de presentación de solicitudes: 20 días hábiles a partir del día siguiente al 06/07/2022.

Enlace a la información completa de la convocatoria

Unraveling the Origin of Symmetry Breaking in H2O@C-60 Endofullerene Through Quantum Computations

Authors: Carrillo-Bohorquez, Orlando; Valdes, Alvaro; Prosmiti, Rita


Publication date: 2022/03/14

DOI: 10.1002/cphc.202200034

Abstract: We explore the origin of the anomalous splitting of the 1(01) levels reported experimentally for the H2O@C-60 endofullerene, in order to give some insight about the physical interpretations of the symmetry breaking observed. We performed fully-coupled quantum computations within the multiconfiguration time-dependent Hartree approach employing a rigorous procedure to handle such computationally challenging problems. We introduce two competing physical models, and discuss the observed unconventional quantum patterns in terms of anisotropy in the interfullerene interactions, caused […]

Absolute total electron detachment and relative ionisation cross sections for O-2 (-) collisions with O-2 in the energy range (10-1500 eV)

Authors: Guerra, Carlos; Lozano, Ana, I; Mendes, Monica F.; Kumar, Sarvesh; Oller, Juan C.; Limao-Vieira, Paulo; Garcia, Gustavo


Publication date: 2022/03/01

DOI: 10.1088/1361-6595/ac4e22

Abstract: Absolute total electron detachment cross for O-2 (-) collisions with O-2 are reported for impact energies ranging from 10 to 1600 eV as measured with a transmission-beam experimental apparatus. The primary anionic beam projectile is produced in a hollow cathode discharge-induced plasma, and the collisions with the neutral molecular target occur in a gas cell at a well-known constant pressure. The […]

Tags: , |

First-principles modelling of the new generation of subnanometric metal clusters: Recent case studies

Authors: de Lara-Castells, Maria Pilar


Publication date: 2022/04/06

DOI: 10.1016/j.jcis.2021.12.186

Abstract: The very recent development of highly selective techniques making possible the synthesis and experimental characterization of subnanometric (subnanometer-sized) metal clusters (even single atoms) is pushing our understanding far beyond the present knowledge in materials science, driving these clusters as a new generation of quantum materials at the lower bounds of nanotechnology. When the size of the metal cluster is reduced to a small number of atoms, the d-band of the metal splits into […]

Tags: , |

Critical quantum metrology with fully-connected models: from Heisenberg to Kibble-Zurek scaling

Authors: Garbe, Louis; Abah, Obinna; Felicetti, Simone; Puebla, Ricardo


Publication date: 2022/06/15

DOI: 10.1088/2058-9565/ac6ca5

Abstract: Phase transitions represent a compelling tool for classical and quantum sensing applications. It has been demonstrated that quantum sensors can in principle saturate the Heisenberg scaling, the ultimate precision bound allowed by quantum mechanics, in the limit of large probe number and long measurement time. Due to the critical slowing down, the protocol duration time is of utmost relevance in critical quantum metrology. However, how the long-time limit is reached remains […]

Concedida una acción COST a un multiequipo liderado por el IFF

La investigadora del IFF, Dra. María Pilar de Lara Castells, lidera una red de investigación interdisciplinar que acaba de ser aprobada para su financiación por la organización COST (European Cooperation in Science and Tecnology). La acción COST aprobada aglutina a 40 países con cerca de 140 grupos de investigación, que abarcan los campos de Física Atómica y Molecular, Física Química, Ingeniería de Materiales, Ciencias Químicas, Astrofísica y Ciencias del Espacio.

El objetivo de la acción, de título “Confined Molecular Systems: From a New Generation of Materials to the Stars” (acrónimo: COSY) será proporcionar […]

Internal rotation analysis of the microwave and millimeter wave spectra of fluoral (CF3CHO)

Authors: Bermudez, C.; Motiyenko, R. A.; Cabezas, C.; Ilyushin, V. V.; Margules, L.; Endo, Y.; Guillemin, J. C.


Publication date: 2022/06/05

DOI: 10.1016/j.saa.2022.121071

Abstract: The rotational spectrum (4-40 GHz and 50-330 GHz) has been measured and analyzed for trifluoroacetaldehyde, also known as fluoral (CF3CHO), which is one of the degradation products of the fluorinated contaminants emitted into the atmosphere. The complexity of the spectroscopic analysis of this molecule arises from the strong coupling between the internal rotation motion of CF3 group and the […]

Tags: |

(Closed) Becas JAE Intro IFF 2021 bis

El Instituto de Física Fundamental ofrece 4 becas de introducción a la investigación (JAE-Intro-IFF) para estudiantes universitarios:

Dirigido a: Estudiantes cursando el penúltimo/último año de grado o máster universitario oficial.

Duración: 3 meses.

Remuneración: 600 euros/mes (tiempo máximo de dedicación semanal: 20 horas).

Plazo de solicitud: desde el 7 de junio hasta el 6 de julio de 2022

Correo de contacto: info.iff [at] (para consultas específicas, se debiera contactar con los tutores, ver debajo mails de contacto en oferta de proyectos)

Acceso a la convocatoria (Bases, normativa y documentación que se […]

Tags: , , , , |

Delving into guest-free and He-filled sI and sII clathrate hydrates: a first-principles computational study

Authors: Yanes-Rodriguez, Raquel; Cabrera-Ramirez, Adriana; Prosmiti, Rita


Publication date: 2022/06/01

DOI: 10.1039/d2cp00701k

Abstract: The dynamics of the formation of a specific clathrate hydrate as well as its thermodynamic transitions depend on the interactions between the trapped molecules and the host water lattice. The molecular-level understanding of the different underlying processes benefits not only the description of the properties of the system, but also allows the development of multiple technological applications such as gas storage, gas separation, energy transport, etc. In this work we investigate the stability […]

Scalable estimation of pure multi-qubit states

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


Publication date: 2022/05/13

DOI: 10.1038/s41534-022-00565-9

Abstract: We introduce an inductive n-qubit pure-state estimation method based on projective measurements on mn + 1 separable bases or m entangled bases plus the computational basis, with m >= 2. The method exhibits a favorable scaling in the number of qubits compared to other estimation schemes. The use of separable bases makes our estimation method particularly well suited for applications in noisy intermediate-scale quantum computers, where entangling gates are much less accurate than local […]

Benchmarking quantum annealing dynamics: The spin-vector Langevin model

Authors: Subires, David; Gomez-Ruiz, Fernando J.; Ruiz-Garcia, Antonia; Alonso, Daniel; del Campo, Adolfo


Publication date: 2022/05/09

DOI: 10.1103/PhysRevResearch.4.023104

Abstract: The classical spin-vector Monte Carlo (SVMC) model is a reference benchmark for the performance of a quantum annealer. Yet, as a Monte Carlo method, SVMC is unsuited for an accurate description of the annealing dynamics in real-time. We introduce the spin-vector Langevin (SVL) model as an alternative benchmark in which the time evolution is described by Langevin dynamics. The SVL model is shown to provide a more stringent […]

Tags: , |

Quenches to the critical point of the three-state Potts model: Matrix product state simulations and conformal field theory

Authors: Robertson, Niall F.; Surace, Jacopo; Tagliacozzo, Luca


Publication date: 2022/05/04

DOI: 10.1103/PhysRevB.105.195103

Abstract: Conformal field theories (CFTs) have been used extensively to understand the physics of critical lattice models at equilibrium. However, the applicability of CFT calculations to the behavior of the lattice systems in the out-of-equilibrium setting is not entirely understood. In this work, we compare the CFT results of the evolution of the entanglement spectrum after a quantum quench with numerical calculations of the entanglement spectrum of the three-state Potts model using matrix product […]

PDRs4All: A JWST Early Release Science Program on Radiative Feedback from Massive Stars

Authors: Berne, Olivier; Habart, Emilie; Peeters, Els; Abergel, Alain; Bergin, Edwin A.; Bernard-Salas, Jeronimo; Bron, Emeric; Cami, Jan; Dartois, Emmanuel; Fuente, Asuncion; Goicoechea, Javier R.; Gordon, Karl D.; Okada, Yoko; Onaka, Takashi; Robberto, Massimo; Rollig, Markus; Tielens, Alexander G. G. M.; Vicente, Silvia; Wolfire, Mark G.; Alarcon, Felipe; Boersma, C.; Canin, Amelie; Chown, Ryan; Dicken, Daniel; Languignon, David; Le Gal, Romane; Pound, Marc W.; Trahin, Boris; Simmer, Thomas; Sidhu, Ameek; Van de Putte, Dries; Cuadrado, Sara; Guilloteau, Claire; Maragkoudakis, Alexandros; Schefter, Bethany R.; Schirmer, Thiebaut; Cazaux, Stephanie; Aleman, Isabel; Allamandola, Louis; Auchettl, Rebecca; Baratta, Giuseppe Antonio; Bejaoui, Salma; […]

Tags: |

Dynamics of Ring-Cleavage Reactions in Temozolomide Induced by Low-Energy Electron Attachment

Authors: Arthur-Baidoo, Eugene; Izadi, Farhad; Guerra, Carlos; Garcia, Gustavo; Oncak, Milan; Denifl, Stephan


Publication date: 2022/04/27

DOI: 10.3389/fphy.2022.880689

Abstract: We have used a crossed electron molecular beam setup to investigate the behavior of the anticancer drug temozolomide (TMZ) upon the attachment of low-energy electrons (0-14 eV) in the gas phase. Upon a single electron attachment, eight anionic fragments are observed, the most intense being an anion with mass of 109 u at a resonance energy of 0 eV. Quantum chemical calculations suggest that this ion is generated […]

Tags: , |
Go to Top