"Screener and enumerator with force-field optimization (SEFFO): Algorithm ..."

Leran Lu, Wei Cao, Romain Botella (2025)

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DOI: 10.1016/J.CPC.2024.109440

access: open

type: Journal Article

metadata version: 2024-12-22

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Leran Lu, Wei Cao, Romain Botella:
Screener and enumerator with force-field optimization (SEFFO): Algorithm for searching adsorption sites and configurations on 2D materials. Comput. Phys. Commun. 308: 109440 (2025)

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