Departamento de Electromagnetismo y Física de la Materia Departamento de Electromagnetismo y Física de la Materia
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    Departamento de Electromagnetismo y Física de la Materia Departamento de Electromagnetismo y Física de la Materia
    • Grupo de investigación QTCG
      • Grupo de Termodinámica y Computación Cuántica
      • Líneas de investigación
        • Termodinámica cuántica
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    • Química cuántica

    Grupo de trabajo: Química cuántica

    Química Cuántica: Simulando la Materia a Nivel Fundamental
    El grupo de Química Cuántica se dedicará a la aplicación de los principios de la mecánica cuántica para comprender, predecir y manipular el comportamiento de la materia a escala atómica y molecular.
    Sus objetivos principales deben centrarse en:

    Simulación Molecular: Desarrollar y aplicar métodos computacionales avanzados para calcular las propiedades electrónicas de átomos y moléculas (incluyendo su estructura, estabilidad, espectros y reactividad).

    Reacciones Químicas: Modelar las trayectorias de las reacciones, identificar los estados de transición y calcular las barreras de energía. Esto permite predecir la cinética y la termodinámica de procesos químicos.

    Diseño de Materiales: Predecir las propiedades de nuevos materiales (conductividad, comportamiento óptico, propiedades magnéticas) antes de su síntesis experimental, acelerando el descubrimiento de fármacos y materiales avanzados.

    Métodos Cuánticos: Investigar y optimizar métodos de cálculo como la Teoría del Funcional de la Densidad (DFT), los métodos ab initio (como Coupled Cluster o MP2) y, crucialmente, la intersección con la Computación Cuántica para la simulación de sistemas complejos que son intratables para los ordenadores clásicos.

    Este grupo es vital para proporcionar el fundamento teórico que interpreta y guía los experimentos en química, física y biología.

    Jefe de grupo:

    Daniel Manzano

    Daniel Manzano

    Quantum Thermodynamics and Quantum Computation

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    Lo integran:

    Daniel Manzano

    Miguel Ángel García Molina

    Realizó estudios...

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    Daniel Manzano

    Jara Juani Bermejo Vega

    Licenciada en Física, Ingeniera Ténica Informática de Sistemas

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    Daniel Manzano

    Rocío Sola

    Grado en Historia del Arte (Historia del Arte), Máster en Estudios Comparativos en Literatura, Arte y Pensamiento (Humanitats), Doctorado en Humanidades (Humanitats)

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    Química cuántica en Zotero

    6397418 Complex networks 1 apsa 10 date desc 1 71203125 https://quantumgranada.com/wp-content/plugins/zotpress/
    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    Wang, Junya, Yi-Jiao Zhang, Cong Xu, Jiaze Li, Jiachen Sun, Jiarong Xie, Ling Feng, Tianshou Zhou, and Yanqing Hu. 2024. “Reconstructing the Evolution History of Networked Complex Systems.” Nature Communications 15(1): 2849. http://doi.org/10.1038/s41467-024-47248-x.
    Becatti, Carolina, Guido Caldarelli, Renaud Lambiotte, and Fabio Saracco. 2019. “Extracting Significant Signal of News Consumption from Social Networks: The Case of Twitter in Italian Political Elections.” Palgrave Communications 5(1): 1–16. http://doi.org/10.1057/s41599-019-0300-3.
    Becatti, Carolina, Guido Caldarelli, Renaud Lambiotte, and Fabio Saracco. 2019. “Extracting Significant Signal of News Consumption from Social Networks: The Case of Twitter in Italian Political Elections.” Palgrave Communications 5(1): 1–16. http://doi.org/10.1057/s41599-019-0300-3.

    Proyectos: Química cuántica

    Termodinámica Cuántica de No Equilibrio

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    Este proyecto busca extender las leyes de la termodinámica para describir sistemas microscópicos que operan bajo condiciones dinámicas y fuera del equilibrio termodinámico
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