Thesis

  1. On the gas-phase chemistry of p+ionic clusters, dioxides and interstellar chemistry 1996

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

Supervised Theses (7)

  1. Large-scale and linear-scaling quantum mechanics computational methods to characterize the DNA G-quadruplexes and their interaction with small molecules 2023

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    ORTIZ DE LUZURIAGA LOPEZ, IKER

  2. Computational study of statically confined electron systems by means of quantum chemical and machine learning techniques 2022

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    TELLERIA ALLIKA, XABIER

  3. Electron correlation in density matrices and Coulomb holes 2020

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    VIA NADAL, MIREIA

  4. Computational approach to aluminum biochemistry and development of new chelation strategies 2019

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    DALLA TORRE, GABRIELE

  5. Theoretical Characterization of Pentacovalent Oxyphosphorane Intermediate Structures of the Hydrolysis of RNA catalyzed by RNase A 2010

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    Formoso Estensoro, Elena

  6. Study of protein-protein interactions involved in cancer metastases and autoimmune diseases. Design of new antimetastatic molecules 2007

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    SAN SEBASTIAN LARZABAL, EIDER

  7. Twisted amides: characterization of their electronic structure and analysis of their accelerated hydrolysis 2006

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    MUJIKA GOROSTIDI, JON IÑAKI

Thesis Mentoring (6)

  1. Theoretical characterization of new dynamic bonds for responsive materials and their optical properties 2023

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    GALDEANO FRAILE, MAIALEN

  2. Computational studies on photophysical properties of molecular aggregates 2022

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    URANGA BARANDIARAN, OLATZ

  3. Insights into the Efficient Quantum Chemical Simulations of Nonlinear Optical Properties 2022

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    SITKIEWICZ, SEBASTIAN PAWEL

  4. Theoretical study of excited triplet states of aromatic molecules for optoelectronic applications 2022

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    ZUBIRIA ULACIA, MARIA

  5. Determination of nonlinear optical properties with quantum chemistry: from benchmarks to experimental systems 2022

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    NAIM, CARMELO FEDERICO

  6. Computer simulations of intrinsically disordered proteins in the hypoxic response 2022

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    RUIZ ORTIZ, IRENE

Theses Committees (24)

  1. Chair of the Committee

    Theoretical study of dichalcogenides as building blocks for ecient self-healing materials 2021

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    IRIGOYEN URTASUN, MIKEL

  2. Secretary of the Committee

    Computational study of aromaticity in porphyrinoid systems and photosensitizers from chemical bonding descriptors 2021

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    CASADEMONT I REIG, IRENE

  3. Chair of the Committee

    Development and applications of natural orbital functional theory 2020

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    MITXELENA ECHEVERRIA, ION

  4. Secretary of the Committee

    Proteins and DNA as Sources of Catalytic and Biological Activities: from Huisgenases to Chemotherapy 2019

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    ODRIOZOLA GIMENO, MIKEL

  5. Chair of the Committee

    Dynamics of charged biomolecules: Fragmentation, molecular growth and solvation 2018

    Universidad Autónoma de Madrid

    D Angelo, Giovanna

  6. Secretary of the Committee

    Jmj-C dominioa duten histonen desmetilasen eta zitokromoen erreaktibitateari buruzko azterketa konputazionalak 2018

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    ALBERRO OSA, NEREA

  7. Secretary of the Committee

    Adapting hybrid monte carlo methods for solving complex problems in life and materials sciences 2018

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    FERNANDEZ PENDAS, MARIO

  8. Committee Member

    Predictive kinetics in homogeneous catalysis 2018

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    Szlapa, Ewa Natalia

  9. Chair of the Committee

    Protein oxidation by the attack of OH radicals 2017

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    URANGA BARANDIARAN, JON

  10. Secretary of the Committee

    Desarrollo de coordenadas del entorno para el estudio de la catálisis enzimática 2017

    Universitat de València

    García Meseguer, Rafael

  11. Secretary of the Committee

    Optimisation of the first principle code Octopus for massive parallel architectures: application to light harvesting complexes 2015

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    Alberdi-Rodríguez, Joséba

  12. Committee Member

    Structure and electronic properties of endohedrally doped ii-vi hollow nanoclusters 2014

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    JIMENEZ IZAL, ELISA

  13. Secretary of the Committee

    Molecular dynamics simulations of the epigenetic machinery 2014

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    BIANCHI ---, CATERINA

  14. Secretary of the Committee

    Computational modeling of semiconductor nanostructures 2014

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    AZPIROZ APECECHEA, ION MIKEL

  15. Secretary of the Committee

    Metanoaren aktibazioa hamargarren taldeko metal hibrido hidróxido/sulfhidrido katioien bitartez katalizatua 2012

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    LAKUNTZA IRIGOIEN, OIER

  16. Chair of the Committee

    Estudio teórico de la estructura electrónica y molecular de complejos de Cu1+/2+ y Fe2+/3+ relevantes en la enfermedad de alzheimer 2011

    Universitat Autònoma de Barcelona

    Alí Torres, Jorge Isaac

  17. Secretary of the Committee

    Avances metodológicos en el cálculo de la entropía conformacional y la energía de biomoléculas y su aplicación a modelos de colágeno 2011

    Universidad de Oviedo

    Suárez Álvarez, Ernesto

  18. Committee Member

    Analysis of chemical bonding and aromaticity from electronic delocalization descriptors 2011

    Universitat de Girona

    Feixas Geronès, Ferran

  19. Committee Member

    Estudio teórico de la hidrólisis de ésteres fosfato catalizada por la superfamilia de la fosfatasa alcalina: Análisis de la promiscuidad enzimática 2011

    Universitat de València

    López Canut, Violeta

  20. Secretary of the Committee

    Binding and specificity of aluminium in proteins. 2007

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    REZABAL ASTIGARRAGA, ELIXABETE

  21. Secretary of the Committee

    Propiedades electrónicas y reactividad de polienales y vinil-alenos 2006

    Universidade de Vigo

    SILVA LÓPEZ, CARLOS

  22. Secretary of the Committee

    Small clusters of ii-vi materials 2002

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    MACHAIN BERAZA, JON MATTIN

  23. Secretary of the Committee

    Aliminum (III) interactions with aminoacid chains 2001

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    MERCERO LARRAZA, JOSE M.

  24. Committee Member

    Aplicaciones de la teoría de funcionales de densidad a enlaces (2e,3c) y complejos de transferencia de carga 1998

    Universidad del País Vasco - Euskal Herriko Unibertsitatea

    GARCIA LOPEZ AMERICA GRACIELA