Sara Rozas Azcona

Sara Rozas Azcona is a computational chemistry researcher affiliated with the University of Burgos, where she completed her PhD in 2024. Her work focuses on the in silico design of advanced materials for industrial applications, including gas separation and CO₂ conversion.

• Education:
  • Degree in Chemistry (University of Burgos, 2016)
  • Master's in Advanced Chemistry, specializing in Novel Materials
  • PhD in Computational Chemistry (University of Burgos, 2024)

Her research combines quantum methodologies (Density Functional Theory) and classical approaches (Molecular Dynamics) to develop low-melting-point eutectic solvents. She has contributed to European projects like H2020 CO2MPRISE and Horizon WORLD through international research stays in Greece, Argentina, and Italy.

Her scientific interests span atomistic modeling, multiscale simulation, energy storage, and the application of AI/ML in material design. She was supported by a grant during her predoctoral stage with the Fluid Analysis and Molecular Simulation Research Group.

• Labs & Collaborations:
  • Fluid Analysis and Molecular Simulation Research Group (University of Burgos)
  • Monolithos Ltd. (Greece)
  • National Atomic Energy Commission (Argentina)
  • Politecnico di Milano (Italy)

Her work aligns with European initiatives to advance sustainable industrial processes through computational chemistry and novel material design.