CV

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Contact Information

Name Pablo García Aznar
Professional Title PhD Student Sustainable Chemistry
Email pgarazn@itq.upv.es
Location Av. dels Tarongers s/n, València, Valencia 46022

Professional Summary

PhD Student in Sustainable Chemistry specializing in the computational study and design of graphene-based and MXene-based catalysts for chemical, energy, and environmental applications.

Experience

  • 2022 - 2026

    València, Valencia,
    Spain

    PhD Research contract, Theoretical Chemistry Department
    Instituto de Tecnología Química (UPV-CSIC), Universitat Politècnica de València
    Lead computational researcher in co-authored experimental works.
    • Responsible for original model development, reaction mechanism elucidation, and simulation frameworks.
    • Collaborated with experimentalists to accurately define reaction active centres.
  • 2021 - 2022

    Burjassot, Valencia,
    Spain

    Laboratory Intern, Organic Chemistry department
    University of Valencia
    • Wet Lab Experience: Organic synthesis, standard laboratory operations, and structural characterization.
  • 2025 - 2025

    València, Spain

    Outreach Volunteer
    CiènciaLAB
    Scientific outreach workshop.

Education

  • 2022 - Present

    València, Spain

    PhD
    Universitat Politècnica de València
    Sustainable Chemistry
    • Advisor: Dr. Germán Sastre
    • PhD Thesis: Computational study and design of graphene-based and MXene-based catalysts for chemical, energy, and environmental applications.
  • 2021 - 2022

    Burjassot, València,
    Spain

    MSc
    Universitat de València
    Organic Chemistry
    • Advisor: Dr. Jorge Escorihuela
    • Master’s Thesis: Computational study on the inverse electron-demand Diels-Alder reaction of norbornenes with 1,2,4,5-tetrazines.
  • 2017 - 2021

    Burjassot, València,
    Spain

    BSc
    Universitat de València
    Chemistry
    • Undergrad research advisor: Dr. Jorge Escorihuela
    • Bachelor’s thesis: Synthesis of chiral homopropargylic amides for intermolecular Pauson-Khand reactions.

Skills

Computational Chemistry (Advanced): DFT codes (Gaussian 09/16, ORCA, CASTEP), orbital analysis (Multiwfn), HPC systems, MACE Machine-Learning Potentials.
IT & Programming (Intermediate): Linux System Administration, Basic Python Programming, ASE, custom NEB/AutoNEB Transition State search tool.
Laboratory Skills (Basic): Wet Lab Experience, Organic synthesis, structural characterization (1H and 13C NMR).
Generative AI & LLMs (Basic): Local LLM inference deployment on HPC and PC systems, autonomous Python code generation (Aider).

Languages

Spanish : Native
Valencian/Catalan : C1
English : C1
French : A2

Certificates

  • CCP5 Summer School 2025 - Newcastle University (2025)
  • Data Analysis using AI tools - Universitat Politècnica de València (2024)

References

  • Dr. Germán Sastre

    PhD Thesis Advisor. Instituto de Tecnología Química (UPV-CSIC).

  • Dr. Jorge Escorihuela

    Master’s and Bachelor’s Thesis Advisor. Organic Chemistry Department, Universitat de València.