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Screener and enumerator with force-field optimization (SEFFO): Algorithm for searching adsorption sites and configurations on 2D materials

Leran Lu; Wei Cao; Romain Botella
Computer Physics Communications · Vol. 308 · pp. 109440 · 2025
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Bibliographic Information

JournalComputer Physics Communications
PublisherNorth-Holland
Publication Date2025-03-01
Publication Year2025
Volume308
Pages109440
Document TypeJournal Article
eISSN0010-4655
DOI10.1016/j.cpc.2024.109440
SubjectEarth and Planetary Sciences

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NARA Access Coverage1969-07-01~Current
Journal Homepagehttps://www.sciencedirect.com/science/journal/00104655
Publisher PageOpen Publisher Page
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