TY - RPRT TI - First principles-based multiscale atomistic methods for input into first principles nonequilibrium transport across interfaces AU - Cheng, Tao AU - Jaramillo-Botero, Andres AU - An, Qi AU - Ilyin, Daniil V. AU - Naserifar, Saber AU - Goddard, III, William A. PY - 2018 DO - 10.1073/pnas.1800035115 UR - https://www.osti.gov/biblio/1467588 ID - 1467588 ER -