Low-Cost, High-Accuracy Reactivity Modeling: Integrating Genetic Algorithms and Machine Learning with Multilevel DFT Calculations. - José A. Pérez; María M. Zanardi; Ariel M. Sarotti (J. Chem. Inf. Model., 2025)

Solvent Matters: Bridging Theory and Experiment in Quantum-Mechanical NMR Structural Elucidation. - Ivan Cortes; Cristina Cuadrado; José A. Gavín; María M. Zanardi; Antonio Hernández Daranas; Ariel M. Sarotti (J. Chem. Inf. Model., 2026)