Abstract: For decades, computational chemistry has been posited as one of the areas in which quantum computing would revolutionize. However, the algorithmic advantages that fault-tolerant quantum ...

WASHINGTON — A new report from the National Academies of Sciences, Engineering, and Medicine examines how the U.S. Department of Energy could use foundation models for scientific research, and finds ...

A new computational approach developed at the University of Chicago promises to shed light on some of the world's most puzzling materials—from high-temperature superconductors to solar cell ...

Research from Gagliardi Group offers a powerful new toolkit to understand and eventually design complex materials, including high-temperature superconductors and solar cell semiconductors. (Image: ...