We report a high-performance multi graphics processing unit (GPU) implementation of the Kohn–Sham time-dependent density functional theory (TDDFT) within the...
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Harold “Bernie” B. Dobson, age 78, resident of Ottawa Lake, Michigan, passed away and went to be with the Lord, on Friday, December 3, 2021, at Fresenius...
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Montgomery Academy coach Gary Nelson may not have been happy with the slow start of his team against region foe Beulah, but he was well...
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Predicting electronic energies, densities, and related chemical properties can facilitate the discovery of novel catalysts, medicines, and battery materials...
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Predicting material properties by solving the Kohn-Sham (KS) equation, which is the basis of modern computational approaches to electronic...
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Kohn–Sham density functional theory (KS-DFT) is a powerful method to obtain key materials' properties, but the iterative solution of the KS...
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Patricia Knuth (nee Grimmer) passed away peacefully on Wednesday, May 21, 2020 at the age of 89 of congestive heart failure.
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Density functional theory (DFT) is one of the primary approaches to solving the many-body Schrodinger equation. The essential part of the...
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We demonstrate that Google TPUs, novel computer chips optimized for artificial intelligence, can also efficiently perform scientific computation at massive...
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John James Grimmer, 76, passed away peacefully at his home on Tuesday, July 31, 2012. John was born in Cincinnati, Ohio on April 23, 1936.
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