Alfonso Pedone

Alfonso Pedone is an Associate Professor at the Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia. His research focuses on computational chemistry approaches to understanding oxide glasses, including silicates, borosilicates, and nuclear waste materials, through molecular dynamics simulations and machine learning potentials.

• Research Interests: Computational materials science, spectroscopy, glass structure-property relationships, quantum chemistry of minerals, and machine learning applications in material modeling.
• Teaching: Offers advanced courses in Physical Chemistry I, Energetics and Chemical Equilibrium, and Molecular Spectroscopy for chemistry and sustainable chemistry degree programs.
• Technical Expertise: Specializes in Density Functional Theory (DFT) calculations, metadynamics, and reactive molecular dynamics for surface interactions and crystallization studies.
• Collaborative Work: Co-author on studies involving ceria polishing mechanisms, iron toxicity modeling, and machine learning potential benchmarking for industrial applications.
• Publications: Recent work examines pressure-induced glass densification, dispersion interactions in machine learning potentials, and predictive modeling of glass crystallization pathways.