Combining classical molecular dynamics and quantum mechanical methods for the description of electronic excitations: The case of carotenoids. - Ingrid G. Prandi; Lucas Viani; Oliviero Andreussi; Benedetta Mennucci (J. Comput. Chem., 2016)

Soft-sphere continuum solvation models for nonaqueous solvents. - Pradip Si; Ajay Jayanth; Oliviero Andreussi (J. Comput. Chem., 2023)

Automating the Analysis of Substrate Reactivity through Environment Interaction Mapping. - Thiago H. da Silva; Jalen Lu; Zayah Cortright; Denis Mulumba; Md. Sharif Khan; Oliviero Andreussi (J. Chem. Inf. Model., 2025)