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TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

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Description scientific article published on 01 June 2020
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author: Stefan Seritan  Edward G Hohenstein  Christoph Bannwarth  Ivan S Ufimtsev  Chenchen Song  Todd Martinez  B. Scott Fales  Nathan Luehr  Sara I. Kokkila 

Publication date June 1, 2020
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