SCINE SWOOSE 2.1. 0
作者： MORITZ BENSBERG , CHRISTOPH BRUNKEN , KATJA-SOPHIA CSIZI , MIGUEL STEINER , THOMAS WEYMUTH
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摘要: SCINE Swoose provides functionalities for treating large molecular systems in theoretical chemistry with self-parametrizing systemfocused atomistic models (SFAMs). 1 This includes the full auto- 1 Brunken, C.; Reiher, M. Self-
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