Lívia Mariotto, a former visiting PhD student at Kent, co-authors a comprehensive review on density functional theory in forensic science, published in WIREs Forensic Science.
The SISC cluster congratulates Lívia Mariotto, former visiting PhD researcher at the University of Kent, on the publication of her latest work in WIREs Forensic Science. The article, titled “Density Functional Theory in Forensic Science: Applications and Challenges”, explores how computational chemistry—particularly DFT—can enhance and modernise forensic methodologies.
Co-authored with Caio Pinke Rodrigues, Nigel Mason, Aline Bruni, and Felipe Fantuzzi, the review presents a detailed overview of how DFT provides molecular-level insights into the behaviour of forensic compounds, aiding the interpretation of experimental data where traditional methods may fall short. The work covers a range of applications, including new psychoactive substances (NPS), food adulterants, explosives, latent fingerprints, and luminol-based blood detection.
The review also explores how advances in functionals, integration with machine learning, and commitment to sustainable practices are shaping the future of forensic science. This publication reflects the interdisciplinary ethos of SISC and the impact of international collaboration in addressing global scientific challenges.
The article is available here.