Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.
Robert SchadeTobias KenterHossam ElgabartyMichael LassOle SchüttAlfio LazzaroHans PabstStephan MohrJürg HutterThomas D. KühneChristian PlesslPublished in: CoRR (2021)