Sara Rozas Azcona holds a degree in Chemistry from the University of Burgos (2016), where she continued her education by pursuing a Master´s in Advanced Chemistry, specializing in Novel Materials. She combined her studies with the beginning of her research career as a granted Research Technician for the Fluid Analysis and Molecular Simulation Research Group at the University of Burgos, led by Santiago Aparicio. She completed her predoctoral stage within this group, successfully defending her thesis in 2024.

Her doctoral thesis in computational chemistry, supervised by Dr. Santiago Aparicio and Dr. Alfredo Bol, focuses on the in silico design of new materials, such as low-melting-point eutectic solvents, for application in various industrial processes, particularly in gas separation and CO₂ conversion. To achieve this goal, different multiscale modeling techniques were applied, with a specialization in quantum methodologies such as Density Functional Theory (DFT) and classical approaches like Molecular Dynamics (MD).

She has undertaken research stays in Greece (Monolithos Ltd.), Argentina (National Atomic Energy Commission), and Italy (Politecnico di Milano) within the framework of various European projects, including H2020 (CO2MPRISE) and HORIZON (WORLD).

• Atomistic modeling and multiscale simulation of materials
• Energy storage
• Artificial Intelligence and Machine Learning

• Density Functional Theory
• Classical Molecular Dynamics
• Physical Chemistry