TY - GEN AU - Tobias Klöffel and Gerald Mathias and Bernd Meyer T1 - Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers CY - PY - 2021 PB - Elsevier T3 - Computer Physics Communications VL - 260 UR - https://doi.org/10.1016/j.cpc.2020.107745