Barocaloric effects at first-order phase transitions 

    Aznar Luque, Araceli (Fecha de defensa: 2021-04-15)

    Current refrigeration devices, based on vapour-compression cycles, employ refrigerants such as HFCs, which exhibit a global warming potential a thousand times higher than the one produced by CO2,. Furthermore, the increasing ...

    Estimation of binding free energies with Monte Carlo atomistic simulations and enhanced sampling 

    Gilabert Navarro, Joan Francesc (Fecha de defensa: 2020-07-22)

    The advances in computing power have motivated the hope that computational methods can accelerate the pace of drug discovery pipelines. For this, fast, reliable and user-friendly tools are required. One of the fields that ...

    Quantum Monte Carlo study of few-and many-body bose systems in one and two dimensions 

    Guijarro Gamez, Grecia (Fecha de defensa: 2020-12-21)

    In this Thesis, we report a detailed study of the ground-state properties of a set of quantum few- and many-body systems by using Quantum Monte Carlo methods. First, we introduced the Variational Monte Carlo and Diffusion ...

    Solid-state studies on C60 solvates 

    Ye, Jin (Fecha de defensa: 2017-11-23)

    This thesis focuses on the thermodynamic and crystallographic characterization of C60 solvates formed with small organic molecules (CBr2(CH3)2, CBr2Cl2, CBr2H2, CBrCl2H and CBrClH2) Chapter I provides an introduction ...

    Ultracold Bose and Fermi dipolar gases : a quantum Monte Carlo study 

    Bombín Escudero, Raúl (Fecha de defensa: 2019-12-13)

    The object of study of this thesis are dipolar systems in the quantum degenerate regime. In general, dealing with many-body systems and evaluating their properties requires to deal with the the Schrödinger equation. In the ...

    Viscoelastic behavior of high-entropy metallic glasses 

    Duan, Yajuan (Fecha de defensa: 2024-03-13)

    (Català) Els vidres metàl·lics, especialment els d'alta entropia, es caracteritzen per la seva microestructura i propietats mecàniques úniques i, a més, permeten investigar la dinàmica de relaxació en materials desordenats ...