Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl. ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing, 111:102920, 2022. [doi]
Abstract is missing.