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Carlo Andrea Rozzi

CNR Researcher

tel. +39 059 2055685

fax +39 059 374794

carloandrea.rozzinano.cnr .it


via Campi 213/a, 41125 Modena

Running projects

* EU FP7 NMP "CRONOS" (2013-2015)

* EU FP7 Marie Curie IIF "MODENADYNA" (2015-2017)

Research interests

* Theory and simulation of electronic and nuclear ultrafast dynamics in nano-structured materials

* Excitation energies from Time-dependent Density Functional theory

Biographical sketch

Professional experiences

* 2009-present: Researcher, CNR - Istituto Nanoscienze, Modena

* 2005-2009: Tenure-track Researcher, INFM National Research Center S3, Modena

* 2004-2005: Postdoc within the European Network of excellence "Nanoquanta" Fellowship (Nanoscale Quantum Simulations for Nanostructures and Advanced Materials), at Institut für Theoretische Physik, Freie Universität Berlin; supervisor Prof. E.K.U. Gross

* 2002-2004: Postdoc within the European Research and Training Network "Exciting" Fellowship, at Institut für Theoretische Physik, Freie Universität Berlin; supervisor Prof. E.K.U. Gross

* 2001-2003: Postdoc at Dipartimento di Fisica, Università degli Studi di Modena e Reggio Emilia; supervisor Prof. F. Manghi.


* 2001: PhD in Physics at the Università degli Studi di Modena e Reggio Emilia, Thesis: "Theory of core-level photoemission in transition metal oxides", supervisor: Prof. F. Manghi

Selected publications

* C. A. Rozzi, S. Pittalis, Prototyping ultrafast charge separation by means of time-dependent density functional methods in W. Andreoni, S. Yip (eds.), Handbook of Materials Modeling. Volume 2 Applications: Current and Emerging Materials, Springer, 2018, ISBN 978-3-319-50257-1

* C. A. Rozzi, F. Troiani, I. Tavernelli, Quantum modeling of ultrafast photoinduced charge separation, J. Phys.: Condens. Matter 30, 013002 (2017)

* A. De Sio et al., Tracking the coherent generation of polaron pairs in conjugated polymers, Nat. Comm. 7, 13742 (2016)

* A. Delgado et al., Modeling solvation effects in real-space and real-time within density functional approaches, J. Chem. Phys. 143, 144111 (2015)

* S. M. Falke, C. A. Rozzi et al., Coherent ultrafast charge transfer in an organic photovoltaic blend, Science 344, 1001 (2014)

* C. Cocchi, D. Prezzi, A. Ruini, E. Molinari, C. A. Rozzi, Ab initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine, Phys. Rev. Lett. 112, 198303 (2014)

* C. A. Rozzi, S. M. Falke et al., Quantum coherence controls the charge separation in a prototypical artificial light harvesting system, Nat. Comm. 4, 1602 (2013)

* E. Räsänen et al., Electron-electron interactions in artificial graphene, Phys. Rev. Lett. 108, 246803 (2012)

* N. Spallanzani et al., Photoexcitation of a Light-Harvesting Supramolecular Triad: A Time-Dependent DFT Study, J. Phys. Chem. B 113, 5345 (2009)

* A. Castro et al., octopus: a tool for the application of time-dependent density functional theory, Phys. Stat. Sol. (b), 243, 2465 (2006)

* C. A. Rozzi, et al., Exact Coulomb cutoff technique for supercell calculations, Phys. Rev. B 73, 205119, (2006)

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