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IMAGE: Pictorial representation of joint experimental and computational study of materials. The study utilized the Advanced Photon Source (upper panel) and Argonne Leadership Computing Facility (lower panel). The team addressed the. view more
Credit: Emmanuel Gygi, University of California, San Diego
Computer simulations hold tremendous promise to accelerate the molecular engineering of green energy technologies, such as new systems for electrical energy storage and solar energy usage, as well as carbon dioxide capture from the environment. However, the predictive power of these simulations depends on having a means to confirm that they do indeed describe the real world.
Such confirmation is no simple task. Many assumptions enter the setup of these simulations. As a result, the simulations must be carefully checked by using an appropriate validation protocol involving experimental measurements.