Davide Donadio

Davide Donadio



Contact information

Chem 163 C, UC Davis, One Shields Avenue, Davis, CA, 95616

email: ddonadio at ucdavis.edu

phone: (530)752-2297

WWW: Here



Education

-Degree in Physics, obtained cum laude at the University of Milan in 1998. Supervisor: Prof. G. Benedek. Thesis: "Numerical simulation of the growth of carbon films by molecular beam deposition"

-Ph.D. in Materials Science at the University of Milano Bicocca in 2003. Supervisors: Prof. G. Benedek and Prof. M. Bernasconi. Thesis: "Photosensitivity and photoelasticity of amorphous silica from first principles".



Research

My research activities involve the use and development of classical and ab initio MD algorithms. Here is a list of my main research topics.

- Thermoelectric properties of nanostructures.

- Nucleation in simple model fluids (Lennard-Jones) and in tetrahedral fluids (e.g. water and silicon) and rare event methods.

- Solid-solid phase transitions of crystalline silica polymorphs under pressure.

- Defects and dielectric properties of amorphous silica for optics applications.

- Nanostructured carbon-based materials.

Newest Publications

  1. "Electronic effects in the IR spectrum of water under confinement", D. Donadio, G. Cicero, E. Schwegler, M. Sharma and G.Galli, J. Phys. Chem. B (accepted).
  2. "Probing properties of water under confinement: Infrared spectra", M. Sharma, D. Donadio, E. Schwegler and G. Galli, Nano Lett. 8, 2959 (2008).
  3. "The effect of temperature and anysotropic load in the phase transitions of alpha-cristobalite", D. Donadio, R. Martonak, P. Raiteri and M. Parrinello, Phys. Rev. Lett. 100, 165502 (2008).



Full Publication List

  1. D. Donadio, L. Colombo, P. Milani and G. Benedek: "Growth of nanostructured carbon films by cluster assembling", Phys. Rev. Lett 83 ,776 (1999).
  2. M. Bogana, D. Donadio, G. Benedek and L. Colombo: "Simulation of Atomic Force Microscopy of Fractal Nanostructured Carbon Films", Europhys. Lett. 54, 72 (2001).
  3. S. Iarlori, D. Ceresoli, M. Bernasconi, D. Donadio, and M. Parrinello: "Dehydroxylation and silanization of the surfaces of beta-cristobalite silica: an ab initio simulation", J. Phys. Chem B 105, 8007 (2001).
  4. D. Donadio, M. Bernasconi and M. Boero: "Ab initio Simulations of Photoinduced Interconversions of Oxygen Deficient Centers in Amorphous Silica", Phys. Rev. Lett. 87, 195504 (2001).
  5. L. Zoppi, L. Colombo and D. Donadio: "Atomic scale characterization of nanostructured a-C:H films.", Eur. Phys. J. B, 27, 335 (2002).
  6. A. Podesta', G. Fantoni, P. Milani, M. Ragazzi, D.Donadio and L. Colombo "Nanofriction study of nanostructured carbon films grown by Supersonic Cluster Beam Deposition", J. Nanosci. Nanotech., 2, 637 (2002)
  7. D. Donadio, M. Bernasconi and F. Tassone "Photoelasticity of crystalline and amorphous silica from first principles", Phys. Rev. B 68, 134202 (2003).
  8. R. Martonak, D. Donadio and M. Parrinello "Polyamorphism of ice at low temperatures from constantpressure simulations", Phys. Rev. Lett. 92, 225702 (2004).
  9. D. Donadio, G. Benedek and L. Colombo "Elastic moduli of nanostructured carbon films", Phys. Rev. B, 70, 195419, (2004).
  10. D. Donadio, M. Bernasconi and F. Tassone "Photoelasticity of sodium silicate glass from first principles", Phys. Rev. B 70, 214205 (2004).
  11. D. Donadio and M. Bernasconi "Ab-initio simulation of photoinduced transformation of small rings in amorphous silica", Phys. Rev. B, 71, 073307 (2005).
  12. R. Martonak, D. Donadio and M. Parrinello "Evolution of the structure of amorphous ice - from LDA through HDA to VHDA", J. Chem. Phys. 122, 134501, (2005)
  13. D. Donadio, P. Raiteri and M. Parrinello "Topological defects and bulk melting of hexagonal ice", J. Phys. Chem. B 109, 5421(letter) (2005).
  14. O. Andreussi, D. Donadio, M. Parrinello and A. Zewail "Non-equilibrium dynamics and structure of interfacial ice", Chem. Phys. Lett. 426, 115 (2006).
  15. R. Martonak, D. Donadio, A.R. Oganov and M. Parrinello "Structural transformations in crystalline phases of silica from classical and ab-initio metadynamics", Nature Materials, 5, 623 (2006).
  16. F. Trudu, D. Donadio and M. Parrinello "Freezing of a Lennard-Jones fluid: From nucleation to spinodal regime", Phys. Rev. Lett. 97, 105701 (2006).
  17. G. Bussi, D. Donadio and M. Parrinello, "Canonical sampling through stochastic velocity-rescaling", J. Chem. Phys. 126, 014101 (2007).
  18. R. Martonak, D. Donadio, A.R. Oganov and M. Parrinello, "From 4- to 6- coordinated silica: transformation pathways from metadynamics", Phys. Rev. B 76, 014120 (2007).
  19. L. delle Site, L. Ghiringhelli, O. Andreussi, D. Donadio and M. Parrinello, "The interplay between surface–water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111)", J. Phys.: Condens. Matter 19, 242101 (2007).
  20. R. E. Bulo, D. Donadio, A. Laio, F. Molnar, J. Rieger and M. Parrinello, "Polyacrylate Interaction with Ca2+ Ions in Water; Coiling and Aggregation", Macromolecules, 40, 3437 (2007).
  21. F. Bruneval, D. Donadio, and M. Parrinello, "Molecular Dynamics Study of the Solvation of Calcium Carbonate in Water", J. Phys. Chem. B, 111, 12219 (2007).
  22. T. Laino, D. Donadio, and Y. W. Kuo, "Migration of positively charged defects in quartz", Phys. Rev. B 76, 195210 (2007).
  23. D. Donadio and G. Galli, "Thermal conductivity of isolated and interacting carbon nanotubes: Comparing results from Molecular Dynamics and the Boltzmann transport equation", Phys. Rev. Lett. 99, 255502 (2007).
  24. F. Zipoli, D. Donadio and M. Bernasconi, "Grafting of organosilanes on the surface of amorphous silica", J. Phys.: Condens. Matter 20, 224011 (2008).
  25. D. Donadio, R. Martonak, P. Raiteri and M. Parrinello: "The effect of temperature and anysotropic load in the phase transitions of alpha-cristobalite", Phys. Rev. Lett. 100, 165502 (2008).
  26. J. Behler, R. Martonak, D. Donadio and M. Parrinello: "Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential", Phys. Rev. Lett. 100, 185501 (2008).
  27. E. Molina-Montes, D. Donadio, A. Hernandez-Laguna, C. I. Sainz-Diaz and M. Parrinello: "DFT research on the dehydroxylation reaction of pyrophillite. 1. First principle MD simulations", J. Phys. Chem. B 112, 7051 (2008).
  28. E. Molina-Montes, D. Donadio, A. Hernandez-Laguna, C. I. Sainz-Diaz: "DFT research on the dehydroxylation reaction of pyrophillite. 2. Characterization of the intermediates", J. Phys. Chem. A (2008).
  29. M. Sharma, D. Donadio, E. Schwegler and G. Galli "Probing properties of water under confinement: Infrared spectra", Nano Lett. 8, 2959 (2008).
  30. J. Behler, R. Martonak, D. Donadio and M. Parrinello: "Pressure-induced phase transitions in silicon studied by neural network-based metadynamics simulations", Phys. Stat. Sol. B, 245, 2618 (2008).
  31. D. Donadio, G. Cicero, E. Schwegler, M. Sharma and G. Galli, "Electronic effects in the IR spectrum of water under confinement", J. Phys. Chem. B (accepted).