Family of Two Dimensional Transition Metal Dichlorides Fundamental Properties, Structural Defects, and Environmental Stability. - Andrey A. Kistanov; Stepan A. Shcherbinin; Romain Botella; Artur Davletshin; Wei Cao (CoRR, 2022)

Swarm Smart Meta-Estimator for 2D/2D Heterostructure Design. - Romain Botella; Andrey A. Kistanov; Wei Cao (J. Chem. Inf. Model., 2023)

Screener and Enumerator with Force-Field Optimization (SEFFO): algorithm for searching adsorption sites and configurations on 2D materials. - Leran Lu; Wei Cao; Romain Botella (Zenodo, 2024)

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