“…Chemical innovations have played a crucial role in shaping and constructing our modern society, significantly contributing to its development and progress. , However, their associated byproducts and waste generation have unintentional detrimental effects on the environment, ecology, and human health. , An estimated nine million worldwide deaths per year have been directly linked to environmental pollution, notwithstanding its detrimental effects on ecosystems. , Current environmental research efforts focus on mitigating these impacts. − Biological and physicochemical techniques, such as adsorption, advanced oxidation processes, reduction, photocatalysis, and chemical or biological oxidation, have been developed to degrade recalcitrant pollutants along with analytical techniques that are able to track minimal concentrations of chemicals in the environment. − Exploring and understanding the interaction of pollutants with the environment, reaction and adsorption mechanisms, properties of catalysts, and development of predictive models for toxicity and reactivity are aspects that can guide technologies aiming to mitigate environmental contamination. Computational and experimental chemistry can work in synergy to impact several areas, including drug discovery, synthetic chemistry, , energy, environmental chemistry, and materials science. − Theoretical calculations can study the properties of molecules at the atomic level and simulate the behavior of complex systems without the necessity of performing specific experiments …”