Molecular modelling and simulations are vital components of materials science, as they provide an essential tool to engineer novel materials with improved performances. A comprehensive approach to materials modelling should then cover the chain that links processing, structure and functionality, which are tightly intertwined. Processing of materials and their functionality, such as energy conversion and transport, involve intrinsically out of equilibrium processes at various length and time scales, including non-classical paths to form metastable structures, large thermal gradients and large gradients in chemical potentials. In my group we aim at predictive multiscale modeling of non-equilibrium processes and characterization of materials at the molecular scale, to enable intelligent design of new systems with desired functionalities. Our research currently focuses on (bio-)templated growth and assembly of nanostructures and hierarchical materials, reactions at interfaces and in solution, nano-phononics and thermoelectric materials, and thermal transport in hybrid nanostructures and at hard/soft matter interfaces.
Education, Awards and Professional Highlights
- UC Davis Hellman Fellow (2017-2018)
- Appointed to UC Davis faculty (2015)
- Ikerbasque Research Professor at the Donostia International Physics Center (2014)
- Habilitation for full professorship by the Italian Ministry for University and Research (2013)
- Leader of an independent Max Planck Research Group (2010-2015)
- Staff scientist at UC Davis (2007-2009)
- Ph.D. in Materials Science, University of Milano (2003)
- Young Scientist Award, Italian Institute for the Physics of Matter (1998)
- M.S. in Physics, University of Milano (1998)
- S. Neogi, et al., "Tuning Thermal Transport in Ultrathin Silicon Membranes by Surface Nanoscale Engineering", ACS Nano 9 , 3820 (2015).
- J Kahlen, C Peter, D. Donadio , "Molecular simulation of oligo-glutamates in a calcium-rich aqueous solution: insights into peptide-induced polymorph selection" Cryst. Eng. Comm. (2015). DOI: 10.1039/C5CE00676G
- X. Xu et al. "Length-dependent thermal conductivity in suspended single layer graphene", Nature Commun. 5 , 3689 (2014).
- R. Pek oz, K. Johnston, D. Donadio, "Tuning the Adsorption of Aromatic Molecules on Platinum via Halogenation", J. Phys. Chem. C, 118 , 6235 (2014).
- R. Potestio, S. Fritsch, P. Espanol, R. Delgado-Buscaglioni, K. Kremer, R. Everaers, D. Donadio , "Hamiltonian adaptive resolution simulation of molecular liquids", Phys. Rev. Lett. 110 , 108301 (2013).
- D. Donadio, L. M. Ghiringhelli and L. Delle Site "Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface", J. Am. Chem. Soc. 134, 19217 (2012).
- I. Duchemin and D. Donadio "Atomistic calculation of the thermal conductance of large scale bulk-nanowire junctions", Phys. Rev. B 84 115423 (2011).
- D. Donadio and G. Galli "Atomistic simulations of heat transport in silicon nanowires", Phys. Rev. Lett. 102, 195101 (2009).