TY  - RPRT
TI  - Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx
AU  - Williams-Young, David B.
AU  - Bagusetty, Abhishek
AU  - de Jong, Wibe A.
AU  - Doerfler, Douglas
AU  - van Dam, Hubertus J.J.
AU  - Vázquez-Mayagoitia, Álvaro
AU  - Windus, Theresa L.
AU  - Yang, Chao
PY  - 2021
DO  - 10.1016/j.parco.2021.102829
UR  - https://www.osti.gov/biblio/1833833
ID  - 1833833
ER  -