Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
Schade, Robert ; Kenter, Tobias ; Elgabarty, Hossam ; Lass, Michael ; Schütt, Ole ; Lazzaro, Alfio ; Pabst, Hans ; Mohr, Stephan ; Hutter, Jürg ; Kühne, Thomas D ; Plessl, Christian
Elsevier 2022-07
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