Researchers at Penn State University have created a new computational approach to identify materials that could exhibit superconductivity at higher temperatures, potentially revolutionizing energy transmission. The method integrates classical theory with quantum mechanics using zentropy theory. This breakthrough aims to overcome the limitations of current superconductors that require extremely low temperatures.
Superconductors, materials that conduct electricity with zero resistance, hold immense promise for efficient power systems but are hindered by the need for cryogenic conditions. A team led by Zi-Kui Liu, a professor of materials science and engineering at Penn State, has developed a model to predict superconductivity in materials that might operate at near-room temperatures. Supported by the U.S. Department of Energy's Basic Energy Sciences program, the research bridges the Bardeen-Cooper-Schrieffer (BCS) theory—which explains low-temperature superconductivity through electron pairing via phonons—with density functional theory (DFT), a quantum mechanics-based tool for modeling electron behavior.
The innovation lies in zentropy theory, which combines statistical mechanics, quantum physics, and computational modeling to link a material's electronic structure to its temperature-dependent properties. This allows prediction of the critical temperature at which superconductivity emerges or fails. "The goal has always been to raise the temperature at which superconductivity persists," Liu said. "But first, we need to understand exactly how superconductivity happens, and that is where our work comes in."
Using this approach, the team successfully forecasted superconducting behavior in both conventional low-temperature materials and high-temperature ones, including cases unexplained by traditional BCS theory. They also identified potential superconductivity in metals like copper, silver, and gold, though only at very low temperatures. Liu likened the process to creating a "superhighway just for electrons," where paired electrons travel without resistance, akin to the Autobahn.
The study, co-authored by research professor Shun-Li Shang, was published in Superconductor Science and Technology (2025; 38(7): 075021). Next, the researchers plan to explore pressure effects on superconductivity and screen a database of five million materials for new candidates. "We are not just explaining what is already known," Liu added. "We are building a framework to discover something entirely new." If realized, room-temperature superconductors could transform global energy technology by enabling lossless electricity transmission.