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![Researchers used quantum Monte Carlo calculations to accurately render the structure and electronic properties of germanium selenide, a semiconducting nanomaterial. Credit: Paul Kent/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2022-09/ECP-storytip_0.png?h=e58db2e8&itok=ZzbB2Z-f)
A multi-lab research team led by ORNL's Paul Kent is developing a computer application called QMCPACK to enable precise and reliable predictions of the fundamental properties of materials critical in energy research.