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Do simulations represent the real world at the atomic scale? – Phys.org

Computer simulations hold tremendous promise to accelerate the molecular engineering of green energy technologies, such as new systems for electrical energy storage…

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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…

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