(InsideHPC) The DOE Office of Science (Basic Energy Sciences) has announced that its Argonne National Laboratory will be receiving funding for two new projects that will use data science to accelerate discovery in chemistry and material sciences.
Lynda Soderholm, department head in the Chemical Sciences and Engineering division and Argonne Distinguished Fellow, leads one of Argonne’s new data science projects.
Ray Osborn, senior physicist in the Materials Science division, is principal investigator for the other Argonne project. Collaborators include Stephan Rosenkranz from the Materials Science division, Charlotte Haley and Mihai Anitescu from the Mathematics and Computer Science division and Eun-Ah Kim and Kilian Weinberger from Cornell University.
This team’s research is focused on quantum materials in which the coupling of electron spins to their orbital momenta is particularly strong. Researchers have predicted that this spin-orbit coupling generates exotic forms of cooperative electron ordering not seen before. By combining synchrotron X-ray capabilities with new computational methods utilizing machine learning and advanced spectral analysis, this research will reveal the ​“hidden order” in quantum materials and thereby elucidate the underlying interactions that would allow them to be harnessed in future applications as diverse as quantum computing, smart sensors and actuators, and low-power electronics.

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