Research scientist at CNR-ISTM
Expertise: theoretical modelling
Nov 2011 – present Researcher, CNR-ISTM, Milano, Italy
Jul 2010 – Sep 2011 Senior Research Fellow, Materials Modeling Laboratory, Oxford University
May 2008 – Jun 2010 Senior Research Fellow, Dept. of Materials Science and Engineering,
Massachusetts Institute of Technology (MIT)
Jan 2005 – Apr 2008 Research Fellow, Condensed Matter sector, SISSA, Trieste, Italy
Dec 2003 – Dec 2004 Postdoc, Dept. of Physics, Rutgers University, Piscataway NJ, USA
Nov 2002 – Dec 2003 Postdoc, Condensed Matter sector at SISSA, Trieste, Italy
Oct 2002 Ph.D. in Condensed Matter at SISSA
Oct 2000 Master degree in Condensed Matter at SISSA
Sep 1999 Degree (it. laurea) in Materials Science, at the University of Milano-Bicocca
Scientific interests and research activities:
– Theoretical characterization and design of materials for water-splitting.
– Structure, chemistry, mechanical properties of cement with reduced CO2 footprint.
– Computational spectroscopies: NMR, EPR and optical absorption.
– Atomistic simulations of iron and steel interface solidification.
Past scientific interests and research activities:
– High-k dielectric materials.
– High temperature nanofriction.
– Electron–hole recombination in polyethylene (in collaboration with Pirelli Cables and Systems).
– Structure and reactivity of amorphous silica surfaces (in collaboration with Pirelli Tires).
– Developer and maintainer of the QE-GIPAW (NMR/EPR parameters), QE-TDDFT (optical spectroscopy) and QE-FDE (charge transfer) codes in the ab initio package Quantum-Espresso.
– Lecturer and organizer for the CECAM tutorial “Calculation of solid state NMR/EPR parameters with the GIPAW method”, Oct 7–11, ETH, Zurich, Switzerland.
– Lecturer and organizer for the CECAM tutorial “Computational spectroscopies with Quantum-Espresso and related codes”, Jul 26–30, SISSA, Trieste, Italy.
Total number of publications: 32 H-index: 12
1. D. Ceresoli, D. Vanderbilt, Structural and dielectric properties of amorphous ZrO2 and HfO2, Phys. Rev. B 74 (2006) 125108.
2. X. Zhao, D. Ceresoli, D. Vanderbilt, Amorphous ZrO2 from Ab initio molecular dynamics: Structural, electronic and dielectric properties,Phys. Rev. B 71 (2005) 085107.
3. D. Ceresoli, M. C. Righi, E. Tosatti, S. Scandolo, G. Santoro, S. Serra, Exciton self-trapping in bulk polyethylene, J. Phys. Cond. Matt. 17 (2005) 4621.
4. D. Ceresoli, E. Tosatti, S. Scandolo, G. Santoro, S. Serra, Trapping of excitons by chemical defects in polyethylene, J. Chem. Phys. 121 (2004) 6478.
5. S. Iarlori, D. Ceresoli, et al., Dehydroxylation and silanization of the surfaces of beta-cristobalite silica, J. Phys. Chem. 105 (2001) 8007.
6. D. Ceresoli, M. Bernasconi, et al., Two-membered Silicon Rings on the Dehydroxylated Surface of Silica, Phys. Rev. Lett. 84 (2000) 3887.
7. T. Zykova-Timan, D. Ceresoli, E. Tosatti, Peak Effect and Skating in High Temperature Nanofriction, Nature Materials 6 (2007) 230.
8. T. Zykova-Timan, U. Tartaglino, D. Ceresoli and E. Tosatti, Why Are Alkali Halide Solid Surfaces Not Wetted By Their Own Melt?, Phys. Rev. Lett. 94 (2005) 176105.
9. P. Giannozzi, … D. Ceresoli, …, Quantum-ESPRESSO: a modular and open-source software project for quantum simulations of materials, J. Phys. Cond. Mat. 21 (2009) 395502.