TY - RPRT TI - Portable Acceleration of Materials Modeling Software: CASTEP, GPUs, and OpenACC AU - Smith, Matthew AU - Tamerus, Arjen AU - Hasnip, Phil PY - 2022 DO - 10.1109/mcse.2022.3141714 UR - https://www.osti.gov/biblio/1982875 ID - 1982875 ER -