Attachment of Hydrogen Molecules to Atomic Ions (Na+, Cl-): Examination of an Adiabatic Separation of the H2 Rotational Motion

2023-11-30T17:19:33+01:00Tags: , , , |

Authors: Garcia-Arroyo, Esther; Campos-Martinez, Jose; Bartolomei, Massimiliano; Hernandez, Marta I.; Pirani, Fernando; Halberstadt, Nadine Journal: CHEMPHYSCHEM Publication date: 2023/10/29 DOI: 10.1002/cphc.202300424 Abstract: Interactions between molecular hydrogen and ions are of interest in cluster science, astrochemistry and hydrogen storage. In dynamical simulations, H-2 molecules are usually modelled as point particles, an approximation that can fail for [...]

¡Lo Fundamental en la Semana de la Ciencia 2023 está en el IFF-CSIC!

2023-11-08T18:29:28+01:00Tags: , , , , , , , , |

En esta Semana de la Ciencia 2023, el Instituto de Física Fundamental (IFF-CSIC) tira la casa por la ventana. Entre el 10 y 17 de noviembre, nuestras investigadoras e investigadores os proponen 9 actividades científicas cargadas de emociones, de disfrute y de aprendizaje. ¿Te interesa el comportamiento del esquivo gato de Schrödinger o de los [...]

Neural network-based emulation of interstellar medium models

2023-11-30T17:20:12+01:00Tags: |

Authors: Palud, Pierre; Einig, Lucas; Le Petit, Franck; Bron, Emeric; Chainais, Pierre; Chanussot, Jocelyn; Pety, Jerome; Thouvenin, Pierre-Antoine; Languignon, David; Beslic, Ivana; Santa-Maria, Miriam G.; Orkisz, Jan H.; Segal, Leontine E.; Zakardjian, Antoine; Bardeau, Sebastien; Gerin, Maryvonne; Goicoechea, Javier R.; Gratier, Pierre; Guzman, Viviana V.; Hughes, Annie; Levrier, Francois; Liszt, Harvey S.; Le Bourlot, Jacques; [...]

Transmon-qubit readout using an in situ bifurcation amplification in the mesoscopic regime

2023-11-30T17:19:40+01:00Tags: , |

Authors: Dassonneville, R.; Ramos, T.; Milchakov, V.; Mori, C.; Planat, L.; Foroughi, F.; Naud, C.; Hasch-Guichard, W.; Garcia-Ripoll, J. J.; Roch, N.; Buisson, O. Journal: PHYSICAL REVIEW APPLIED Publication date: 2023/10/19 DOI: 10.1103/PhysRevApplied.20.044050 Abstract: We demonstrate a transmon-qubit readout based on the nonlinear response to a drive of polaritonic meters in situ coupled to the [...]

Detection of a C4 Criegee Intermediate: Fourier-Transform Microwave Spectroscopy of Methacrolein Oxide

2023-11-30T17:19:30+01:00Tags: , , , |

Authors: Endo, Yasuki; Chung, Chen-An; Witek, Henryk A.; Cabezas, Carlos; Lee, Yuan-Pern Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2023/10/10 DOI: 10.1021/acs.jpca.3c05553 Abstract: Pure rotational transitions of methacrolein oxide (MACRO) were observed by Fourier-transform microwave spectroscopy. Among the four low-lying conformers existing within an energy window of 3 kcal/mol, only the lowest-energy conformer, the [...]

Computational Energy Spectra of the H2O@C70 Endofullerene

2023-11-30T17:19:15+01:00Tags: , , , |

Authors: Carrillo-Bohorquez, Orlando; Valdes, Alvaro; Prosmiti, Rita Journal: CHEMPHYSCHEM Publication date: 2023/10/06 DOI: 10.1002/cphc.202300570 Abstract: A water molecule confined inside the C-70 fullerene was quantum-mechanically described using a computational approach within the MCTDH framework. Such procedure involves the development of a full-dimensional coupled hamiltonian, with an exact kinetic energy operator, including all rotational, translational and [...]

Molecular Oxygen Trimer: Multiplet Structures and Stability

2023-11-30T17:19:27+01:00Tags: , , , |

Authors: Castro-Gomez, L. Beatriz; Campos-Martinez, Jose; Hernandez, Marta I.; Hernandez-Lamoneda, Ramon Journal: CHEMPHYSCHEM Publication date: 2023/10/05 DOI: 10.1002/cphc.202300387 Abstract: We present a detailed theoretical study of the molecular oxygen trimer where the potential energy surfaces of the seven multiplet states have been calculated by means of a pair approximation with very accurate dimer ab initio [...]

¡Enhorabuena Miriam García Santa-María, nueva doctora del IFF!

2023-10-04T12:10:51+02:00Tags: , , , |

El IFF está de enhorabuena. Nuestra compañera, Miriam García Santa-María del departamento de Astrofísica Molecular del IFF, brilló con luz propia en la defensa de su tesis "Caracterización del gas molecular caliente en regiones de formación de estrellas masivas" el pasado viernes 29 de septiembre en la Universidad Complutense de Madrid. Enhorabuena también a nuestro [...]

Multiobjective variational quantum optimization for constrained problems: an application to cash handling

2023-11-30T17:19:11+01:00Tags: , |

Authors: Diez-Valle, Pablo; Luis-Hita, Jorge; Hernandez-Santana, Senaida; Martinez-Garcia, Fernando; Diaz-Fernandez, Alvaro; Andres, Eva; Garcia-Ripoll, Juan Jose; Sanchez-Martinez, Escolastico; Porras, Diego Journal: QUANTUM SCIENCE AND TECHNOLOGY Publication date: 2023/10/01 DOI: 10.1088/2058-9565/ace474 Abstract: Combinatorial optimization problems are ubiquitous in industry. In addition to finding a solution with minimum cost, problems of high relevance involve a number of [...]

Go to Top