Orchestration of materials science workflows for heterogeneous resources at large scale. - Naweiluo Zhou; Giorgio Scorzelli; Jakob Lüttgau; Rahul R. Kancharla; Joshua J. Kane; Robert Wheeler; Brendan P. Croom; Pania Newell; Valerio Pascucci; Michela Taufer (Int. J. High Perform. Comput. Appl., 2023)