Chemistry is a science that is essential for improving our lives. It is present in all spheres and necessary to maintain the planet’s sustainability and to solve humankind’s global and essential problems such as food, water, health, energy and transportation.
Supercomputing is used in theoretical and computational chemistry in order to make progress in solving many of these problems.
Through the application of algorithms to atomic and molecular models of solid, liquid and gaseous matter, computational chemistry shows the virtual reality of the world around us and yields models of molecular structures and chemical reactions quickly and economically, while assisting and complementing experimental work.
The results obtained contribute to the improvement of consumer products and of industrial processes in construction, to the synthesis of new drugs and medicines, to the preservation of the environment and of plant and animal species, and to research in more sustainable energies and technologies.