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

Leran Lu, Wei Cao, Romain Botella. Screener and enumerator with force-field optimization (SEFFO): Algorithm for searching adsorption sites and configurations on 2D materials. Computer Physics Communications, 308:109440, 2025. [doi]

Abstract

Abstract is missing.