Computational Condensed Matter contributions to address water emerging contaminant pollution

by José Rafael Bordin (Departamento de Física, Instituto de Física e Matemática, Universidade Federal de Pelotas, Brasil)

Thursday 12 Jun 2025, 11:00 → 12:00 Portugal

Sala de Conferências (Departamento de Física FCTUC)

The study of emerging contaminants (ECs) in water resources has garnered significant attention due to their potential risks to human health and the environment. Condensed matter physics plays a crucial role in this research by investigating the fundamental properties of materials at the atomic and molecular levels, enabling the design and engineering of materials optimized for contaminant removal. In this presentation I’ll show our recent contributions using computational approaches combined with experiments, focusing on the application of coarse-grained, classical and quantum molecular dynamics simulations to understand and optimize experimental applications of ECs adsorption on carbon-based nanomaterials. Our findings underscores the importance of interdisciplinary collaboration, particularly the contributions of condensed matter physics, in developing innovative materials and strategies to address the environmental challenges posed by ECs.