Catenaa, Tuesday, October 28, 2025-Researchers at Penn State have developed a new computational approach that could identify materials capable of superconductivity at higher, more practical temperatures.
The breakthrough combines density functional theory (DFT) with zentropy-based modeling to predict which materials can conduct electricity with zero resistance.
Superconductors allow electricity to flow without energy loss, but most only work at extremely low temperatures, limiting real-world applications.
The new method bridges the gap between traditional Bardeen-Cooper-Schrieffer (BCS) theory and modern quantum modeling, connecting electron pairing behavior to computational predictions.
The team demonstrated that DFT, previously not used for superconductivity studies, can reveal key electronic structures that support resistance-free electron flow.
The approach accurately predicted conventional superconductors and identified high-temperature candidates, including materials such as copper, silver, and gold, typically non-superconducting under normal conditions.
Using zentropy theory, the researchers modeled how atomic structures maintain superconductivity at higher temperatures, likened to a “pontoon bridge” protecting an electron superhighway.
The framework could guide experiments to find materials that function as superconductors closer to room temperature.
Future research will expand predictions of transition temperatures under varying pressures and screen a database of five million materials to identify promising candidates for practical superconductors.
The team aims to collaborate with experimental scientists to validate high-temperature materials, potentially revolutionizing energy systems, electronics, and power transmission.
Penn State scientists developed a predictive method combining DFT and zentropy theory to discover materials capable of superconductivity at higher, more practical temperatures.
