Bio
I obtained my Bachelors/Masters in Physics and a PhD in Condensed Matter Theory / Computational Materials Science from the University of Rome "Tor Vergata." After completing his PhD, I was awarded a Japan Society for the Promotion of Science Fellowship, which allowed him to conduct research at the National Institute for Materials Science in Japan. My professional path has taken me then around the world, from Japan to Ireland and China, where I've had the privilege of working with some of the leading research institutes, including Osaka University, the University of Technology Sydney, the Tyndall National Institute, Xi’an Jiaotong University, and Shibaura Institute. My research focuses in the application of quanum mechanical and machine learning models to understand and predict functional and structural properties of novel materials of technological interest.
Research Interests
Electronic Structure Theory: Application of quantum mechanical and semi-classical models to investigate and predict the structural and functional properties of novel materials, with a focus on their integration in technological devices. My expertise includes exploring catalytic and photocatalytic processes, probing magnetic and optical properties of crystalline materials, and analyzing the chemical-physical properties of surfaces.
Machine Learning in Condensed Matter Physics and Materials Science: Developed expertise in employing machine learning algorithms for automated learning processes in condensed matter theory. This includes the application of predictive modeling for materials discovery, enabling the identification and optimization of novel materials with desired physical and chemical properties.
Selected Publications
- M. Fronzi*, A. Ellis, E Goudeli “Silicon-Based Anodes for Li Batteries: Thermodynamics, Structural Analysis, and Li Diffusion” The Journal of Physical Chemistry Letters 14, 10388-10395 (2023).
- M. Fronzi*, R. D. Amos*, R. Kobayashi “Evaluation of machine learning models for gold nanoparticles: transferability towards bulk” Nanomaterials 13(12), 1832 (2023).
- M. Fronzi* et al., "Active learning in Bayesian neural networks for the bandgap predictions of novel Van der Waals heterostructures", Adv Int Sys 2100080, 1-7 (2021).
- X. Xu, H. Wang, J. Ma, W. Liu, X. Wang, M. Fronzi* et al., "Impressive performance for proton-conducting solid oxide fuel cells using a first-generation cathode with tailored cations", J Mater Chem A 7(32), 18792-18798 (2019).
- J. Bishop, M. Fronzi (co-first author) et al., "Deterministic nanopatterning of diamond using electron beams", ACS Nano 12(3), 2873-2882 (2018).
- S. Abdulkader Tawfik, S. Ali, M. Fronzi et al., "First-principles investigation of quantum emission from h-BN defects", Nanoscale 9(36), 13575-13582 (2017).
- M. Fronzi* et al., "Metal oxide nano-cluster modified TiO2 as solar activated photocatalyst materials", J Phys: Condens Matter 28, 074006 (2016).
- M. Nolan, A. Iwaszuk, A. K. Lucid and M. Fronzi, "Design of novel visible light active photocatalyst materials: Surface modified TiO2", Adv Mater 28, 5425 (2016).
- M. Fronzi* et al., "Reactivity of metal oxide nano-cluster modified rutile and anatase TiO2: oxygen vacancy formation and CO2 interaction", Appl Catal A 521, 240 (2015).
- M. Fronzi* et al., "ab-initio investigation of ZrO2-CeO2 interfaces", Phys Rev. B 86, 085407 (2012).
- M. Fronzi* et al., "Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation", Phys Chem Chem Phys 11, 8957 (2009).
- M. Fronzi* et al., "Stability and morphology of cerium oxide surfaces in an oxidizing environment: a first-principle investigation", J Chem Phys 131, 104701 (2009).
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