• Development of new theoretical and computational methods
• Mechanisms of chemical reactions
• Modeling of chemical, biological and epidemiological processes
• Spectroscopy and excited states
• Structure and properties of materials
• Structure, properties and molecular design
• Classical methods applied to fluids
• Chemometrics

Theoretical and computational chemistry is the discipline that uses quantum mechanics, classical mechanics, and statistical mechanics to explain the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic, kinetic, and electronic properties. This line of research also includes those investigations that address problems of structure, properties, energy, weak interactions, reaction mechanisms, spintronics, reaction rates, spectroscopy, luminescence, and the use of statistics and data analysis techniques to extract useful information from large volumes of data. The studies developed in this line may involve atoms, molecules, groups, surfaces, mass matter or biological systems, becoming a transversal point with all the other lines of research of the School of Chemical Sciences and Engineering and lines of other schools of the university. The main mission of this line of research lies in understanding matter in its different forms at a fundamental level.

• Sustainable energy and energy conservation
• Analysis of industrial processes
• Recovery and improvement, with low environmental impact, of hydrocarbons
• Biomass as a potential engine of sustainable development
• Innovations for sustainable food systems
• Sustainable management of soil, water and atmosphere

This area includes all research related to sustainable development and that contributes to energy, food, agriculture and the environment. Energy management, production, conversion, conservation, systems, technologies and applications, and their impact on the environment and sustainable development. It involves researchers, scientists, engineers, technology developers, planners, and policymakers. There is a primary interest in issues such as the combination of energy from fossil fuels, abundant in Ecuador (proximity to oil installations) and solar energy. Hydraulic and wind energy, energy synergy commonly used in countries of the region. Virtual gas pipelines, which allow the transport of non-conventional gas, far from the centers of hydrocarbon production. Solar and photovoltaic energy, with a high impact from the environmental point of view, and where the technological challenges point to the development of non-conventional storage of this type of energy. Likewise, generate relevant research that improves processes related to agriculture and, in turn, food technology, which contributes to caring for the environment and going for a circular and non-linear economy. This implies the proper use of agro-industrial waste or biomass for the improvement of the production chain and, in turn, better management of soil and water resources.

• Bioactive natural products
• Controlled release with biocompatible polymeric gels
• Emerging pollutants of pharmacological origin
• Design, molecular modeling, synthesis and characterization of new bioactive molecules
• Bioconjugation

Medicinal chemistry and molecular pharmacology integrate the basic chemical and biological sciences for the improvement of human health. Within this line of research, many scientific disciplines are linked that allow collaboration with other scientists in the research and development of new medicines mimicking the biological world through chemistry. Researchers in this area focus on the discovery and development of drugs, as well as the isolation of compounds with potential biological activity present in the different kingdoms of life, the creation of new synthetic drugs, and drug resistance. Most chemists work with an interdisciplinary team, including biologists, toxicologists, pharmacologists, theoretical chemists, mathematicians, microbiologists, biochemists, chemical engineers, and biopharmacists.

• Relationship structure and properties of materials
• Composite materials and polyblends
• New materials for advanced and self-sustaining technological applications
• Materials for biomedical applications
• Materials from biomass
• Anticorrosive materials
• Theoretical tools for the design of functional materials
• Synthesis and preparation of gels and polymers
• Catalysts and sorbents

Functional Materials is a multi-, inter-, and trans-disciplinary line that encompasses research in a diverse range of topics related to the design, synthesis, characterization, modeling, and application of materials that have particular native properties and their own functions. Consequently, these are selected by the nature of their response to electrical, magnetic, optical, chemical stimuli, or even for aesthetic reasons. It will be at the intersection of chemistry, materials science and engineering.