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Cover Image, Volume 39, Issue 13
Publication year - 2018
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.25216
Subject(s) - computer science , cover (algebra) , embedding , robustness (evolution) , modular design , extensibility , citation , volume (thermodynamics) , information retrieval , image (mathematics) , code (set theory) , theoretical computer science , world wide web , programming language , artificial intelligence , chemistry , mechanical engineering , physics , engineering , gene , biochemistry , set (abstract data type) , quantum mechanics
On page 788, Johannes Neugebauer and colleagues present Serenity, a new subsystem methodology and embedding focused quantum chemistry program. The modular code structure in combination with publicly available external tools and particular design concepts ensures extensibility and robustness with a focus on the needs of a subsystem program. (DOI: 10.1002/jcc.25162 )