The increasing importance of data centers and mobile devices demands memory devices that offer longterm reliability. Current state of the art flash memory suffers from serious disadvantages because it relies on electrons, which are light and prone to causing memory leakage. Emerging memory devices rely on information stored in atoms, which are heavy and can therefore retain memory for significantly longer. Our research models these emerging devices and materials and applies computation methods to assess the physics of their operation, scalability, energy needs and retention times.