SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence

SIMPRE is a fortran77code which uses an effective electrostatic model of point charges to predict the magnetic behavior of rare-earth-based mononuclear complexes. In this manuscript, we present SIMPRE1.2, which now takes into account two further phenomena.Firstly, SIMPRE now considers the hyperfine and quadrupolar interactions within the rare-earth ion, resulting in a more complete and realistic set of energy levels and wave functions. Secondly,and in order to widen SIMPRE’s predictive capabilities regarding potential molecular spin qubits, it now includes a routine that calculates an upper-bound estimate of the decoherence time considering only the dipolar coupling between the electron spin and the surrounding nuclear spin bath. Additionally, SIMPRE now allows the user to introduce the crystal field parameter smanually. Thus,we are able to demonstrate the new features using as examples (i) a Gd-based mononuclear complex known for its properties both as a Single Ion Magnet and as a coherent qubit and (ii) an Er-based mononuclear complex.ERC Advanced Grant SPINMOLERC Consolidator Grant DECRESIMMINECO MAT2014-56143-RMINECO CTQ2014-52758-PPrometeo (Generalitat Valenciana )ISIC (Generalitat Valenciana)SIMPRE is a fortran77code which uses an effective electrostatic model of point charges to predict the magnetic behavior of rare-earth-based mononuclear complexes. In this manuscript, we present SIMPRE1.2, which now takes into account two further phenomena.Firstly, SIMPRE now considers the hyperfine and quadrupolar interactions within the rare-earth ion, resulting in a more complete and realistic set of energy levels and wave functions. Secondly,and in order to widen SIMPRE’s predictive capabilities regarding potential molecular spin qubits, it now includes a routine that calculates an upper-bound estimate of the decoherence time considering only the dipolar coupling between the electron spin and the surrounding nuclear spin bath. Additionally, SIMPRE now allows the user to introduce the crystal field parameter smanually. Thus,we are able to demonstrate the new features using as examples (i) a Gd-based mononuclear complex known for its properties both as a Single Ion Magnet and as a coherent qubit and (ii) an Er-based mononuclear complex

Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement

Here we report the structural flexibility of a Dy-based Single-Ion Magnet MOF in which its magnetic properties can be modified through a ligand substitution process involving an increase of the charge density of the coordination environment

Hubbard U library and high throughput exploration of spin Hamiltonian parameters for the rational design of metal trihalides MX3_3 (M={Ti,V,Cr,Fe}, X={Cl,Br,I}) with high Curie temperature

Metal trihalides (MX$_3$) are the most important family of 2D magnetic materials, being the chromium trihalides the most studied 2D magnets. The discovery of CrI$_3$, the recent obtention of CrCl$_3$ in-plane magnetic monolayer and the role of CrBr$_3$ inducing topological superconductivity in NbSe$_2$, may serve to showcase the active research being done in this family nowadays. Despite the high impact of these materials, most of the members in the MX$_3$ family are still unexplored and constitute an untapped source of interesting physical properties. Stimulated by the most recent advances in straintronics and aware of the crucial role of the dielectric screening, we present here a high throughput methodology to automatize the exploration of 2D materials. Employing this methodology, we studied the MX$_3$ family (M= Cr, Fe, V, Ti; X= Cl, Br, I) with the goal of advancing towards the solution of the most problematic issue in these materials, namely the Curie temperature. We use a particular case to show how this methodology allows us to obtain a complete description of the magnetic interaction picture (J$_{iso}$, J$_{xx}$, J$_{yy}$, J$_{zz}$) up to third neighbors condensed in a single effective equation per parameter, describing magnetic interaction in terms of the strain and the Hubbard U parameter. Additionally, and because of the important role of the Hubbard U in MX$_3$ materials, we provide a library of self-consistent calculated Hubbard U for the principal pseudopotential families. The work presented herein advances in the description of the still unexplored MX$_3$ materials, opening the door to a rational design of 2D magnetic materials

Quantum Error Correction with magnetic molecules

Quantum algorithms often assume independent spin qubits to produce trivial $|\uparrow\rangle=|0\rangle$, $|\downarrow\rangle=|1\rangle$ mappings. This can be unrealistic in many solid-state implementations with sizeable magnetic interactions. Here we show that the lower part of the spectrum of a molecule containing three exchange-coupled metal ions with $S=1/2$ and $I=1/2$ is equivalent to nine electron-nuclear qubits. We derive the relation between spin states and qubit states in reasonable parameter ranges for the rare earth $^{159}$Tb$^{3+}$ and for the transition metal Cu$^{2+}$, and study the possibility to implement Shor's Quantum Error Correction code on such a molecule. We also discuss recently developed molecular systems that could be adequate from an experimental point of view.Comment: 5 pages, 3 figures, 2 table

Propuesta de mejora del control de una Plataforma Elevadora Móvil de Personal utilizando un Autómata Programable

[ES] El proyecto está basado en en la automatización de una Plataforma Móvil de Personal (PEMP) eléctrica, la mejora y actualización del actual sistema de control y seguridades haciendo uso de un autómata programable. La plataforma se construye partiendo de un vehículo eléctrico sobre el cual se acopla un mástil de elevación eléctrico-hidráulico. El control actual de la maquina se realiza mediante uso de relés, zócalos y fichas de conexiones. Esto requiere un estudio preliminar al montaje muy complejo y dependiente de cada máquina, errores de conexionado y de superposición de señales. Con el PLC se conseguiría una actualización del sistema, un único punto de acceso al control totalmente automático, simplificar el estudio de montaje y esquemas, y, por último, una programación rápida capaz de ajustarla para las diferentes aplicaciones que se llevan a cabo. La máquina debe de cumplir la normativa vigente referente a PEMP, instalaciones eléctricas y los estándares de seguridad establecidos, así como las seguridades complementarias requeridas por la empresa fabricante.[EN] The project is about the automation of an Electric Mobile Aerial Work Platform (MAWP), the improvement and update of the current control and security system using a programmable logic controller. The platform is constructed from an industrial electric vehicle to which is assembled an hydraulic lift mast, and this, is complemented with a working platform on which a hydraulically height-adjustable desk is installed. The machine must comply with the current regulations regarding PEMP, electrical installations and the established safety standards, as well as the complementary securities required by the manufacturing company.Rey Baldoví, C. (2018). Propuesta de mejora del control de una Plataforma Elevadora Móvil de Personal utilizando un Autómata Programable. http://hdl.handle.net/10251/107017TFG

Aplicación del modelo Canvas para el desarrollo de un modelo de negocio para la hostelería

[ES] El objeto de este trabajo final de grado es el análisis y la toma de decisiones relacionadas con la puesta en marcha de una empresa relacionada con la hostelería. En concreto el proyecto pretende la definición del modelo de negocio a partir de la metodología Lean Canvas para el lanzamiento de un local de restauración innovador. A través de esta metodología se definirán las propuestas de valor, segmentos objetivo, fuentes de ingresos, estructura de costes, recursos o asociaciones clave entre otros. Adicionalmente el proyecto realizará un estudio económico detallado para analizar la viabilidad económica de la nueva empresa.Palacios Baldoví, T. (2017). Aplicación del modelo Canvas para el desarrollo de un modelo de negocio para la hostelería. http://hdl.handle.net/10251/92814TFG

Catálogo digital: diseño de tatuajes animados en 2D

[ES] Este Proyecto de Fin de Grado consiste en la elaboración de un moderno catálogo digital de diseños de tatuaje con una animación 2D en cada diseño de dicho catálogo como presentación visual. El objetivo que pretendo alcanzar con esta propuesta es obtener un producto más original e innovador, de manera que cada diseño de tatuaje de dicho catálogo se presente visualmente de una forma llamativa y original, además de promover la animación 2D dentro de otra forma de expresión artística, que es el tatuaje. Dentro de este documento se recoge el proceso de diseño de cada tatuaje, la maquetación del catálogo, y tanto el diseño como producción de cada animación.[EN] This Final Degree Project is the development of a modern catalog of tattoo designs with a 2D animation on each design in said catalog as a visual representation. The goal I intend to achieve with this proposal is to obtain and to offer a more original and innovative product, so that each tattoo design of the catalog is visually presented in a stricking and original way, in addition to promoting 2D animation within another form of artistic expression. This document includes the design process for each tattoo, the layout of the catalog, and both the design and production of each animation.Roselló Baldoví, M. (2021). Catálogo digital: diseño de tatuajes animados en 2D. Universitat Politècnica de València. http://hdl.handle.net/10251/170400TFG

Generación fotocatalítica de hidrógeno a partir de mezclas agua/metanol usando como sensibilizador grafenos halogenados

[ES] Se trata de utilizar un Grafeno reconstituido a partir de Oxido de Grafeno mediante la introduccion de halogenos por enlace covalente y asi modular su banda de conduccion y utilizarlo para generar Hidrogeno fotocataliticamente.[EN] We synthesise Reconstituted Graphene from Oxide Graphene introducing Halides in the struture by covalent bonding. This modulates de band-Gap of the semicondutor and the we used to generate Hydrogen.García Baldoví, H. (2013). Generación fotocatalítica de hidrógeno a partir de mezclas agua/metanol usando como sensibilizador grafenos halogenados. http://hdl.handle.net/10251/37411Archivo delegad