Sandra CC Nunes obtained her degree in Industrial Chemistry from the University of Coimbra (UC) in 1998, her Master’s degree in Chemistry, specializing in Chemical Quality Control, in 2003, and her PhD in Chemistry with specialization in Chemical Thermodynamics in 2008, all from UC. She has developed a solid and coherent scientific career at the interface of Computational Chemistry, Physical Chemistry and Materials Science, with a strong focus on macromolecular and colloidal systems applied to biomedical and environmental challenges. A distinctive strength of her profile is the design and implementation of tailored computational models for complex chemical systems, integrating electronic structure calculations, Molecular Dynamics, Monte Carlo simulations and coarse-grained approaches. This ability has been central to advancing the understanding of macromolecular dynamics, membrane interactions, responsive colloidal systems and drug delivery platforms, supporting the interpretation of experimental phenomena and the rational design of functional materials. During her doctoral training and early career, she acquired a strong experimental background in the study of pharmaceutical polymorphism and intermolecular interactions, using advanced calorimetric, spectroscopic and thermomicroscopic techniques, complemented by ab initio calculations. This hybrid experimental–computational foundation supported her FCT-funded postdoctoral research at the Coimbra Chemistry Centre (CQC), where she developed coarse-grained models and Monte Carlo simulations to study polyelectrolyte systems, addressing compaction, confinement, crowding, ion condensation and interactions with surfaces and biological membranes, key phenomena in biological and colloidal environments. In recent years, her research has focused on applying advanced computational frameworks to high-impact problems, including lipid and polymer-based nanocarriers for brain tumor treatment, responsive materials for controlled drug delivery, and polymeric and photoactive systems for environmental remediation and mitigation of microbial resistance. She currently participates in four competitive research projects of high scientific and societal relevance: 3BBBioprinting, NANOPEP, PhotoLip (where she is co-PI), and LIFE-NITRAZENS, playing a central role in molecular modelling, rational materials design and multiscale interpretation of experimental data. Sandra Nunes is co-inventor of an international patent licensed to the pharmaceutical company TECNIMEDE (1.3M), concerning a multifunctional lipid-based nanocarrier for brain tumor therapy and diagnosis. In this work, she was responsible for molecular modelling and computational simulations that optimized formulation stability, therapeutic efficiency and blood–brain barrier permeation, demonstrating her capacity to generate scientific innovation with technological and clinical impact. Her scientific output includes 54 peer-reviewed international publications, 5 book chapters, the editing of a scientific book, and 72 conference communications, with several works featured on journal covers. Her work has received over 1,200 citations, corresponding to an h-index of 19 (Google Scholar). She maintains active international collaborations with research groups in Norway, Sweden, Spain, Turkey, Colombia and Estonia, resulting in joint publications and competitive project submissions. Beyond research, Sandra Nunes has a consistent academic impact through the supervision of 18 undergraduate and Master’s students, mentoring of PhD students in international contexts, extensive teaching activity in Chemistry courses, and regular participation in academic and recruitment juries. She also serves as an expert evaluator for the European Commission (Horizon Europe) and as Ethics Editor of the Journal of Molecular Liquids (Elsevier), contributing to scientific integrity, good editorial practices and international research governance.