Analyzing the electric response of molecular conductors using "electron deformation" orbitals and occupied-virtual electron transfer. - Marcos Mandado; Nicolás Ramos-Berdullas (J. Comput. Chem., 2014)

EDA-NCI: A Scientific Software to Investigate Non-covalent Interactions Combining Classical Dynamic Simulations and QM/MM Calculations. - Marcos Mandado; Nicolás Ramos-Berdullas (ICCSA (Workshops 9), 2024)

Permeation of Polychlorinated Biphenyls Through Lipid Membranes: Classical MD and QM/MM-EDA Analysis. - Nicolás Ramos-Berdullas; Álvaro Pérez-Barcia; Lorena Ruano (ICCSA (Workshops 12), 2025)