@misc{indiciae4a1ad6faad7b, title = {Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx}, author = {Williams-Young, David B. and Bagusetty, Abhishek and de Jong, Wibe A. and Doerfler, Douglas and van Dam, Hubertus J.J. and Vázquez-Mayagoitia, Álvaro and Windus, Theresa L. and Yang, Chao}, year = {2021}, doi = {10.1016/j.parco.2021.102829}, url = {https://www.osti.gov/biblio/1833833}, note = {Source identifier: 1833833} }