Curriculum
EDUCATION
* 01/11/1997–31/10/2000 PhD in Chemical Sciences, University of Roma “La Sapienza”, Roma (Italia), "Structures and Processes in Solid Phase Studied by Mean of Molecular Dynamics and X-Ray Diffraction", under the supervision of Prof. R. Caminiti
* 01/10/1989–17/07/1997 Italian Laurea in Chemistry, University of Roma “La Sapienza”, Roma (Italy), "Calculation of exchange forces in electron-molecule collision" under the supervision Prof. F. A. Gianturco. (1990-1991 mandatory military service)
WORK EXPERIENCE
* 01/6/2019 Assistant Professor, Dept. of Chemical and Pharmaceutical Sciences, University of Ferrara
* 01/1/2016 – 31/05/2018 Researcher Professor, Dept. of Mechanical and Aerospace Engineering, University of Rome "La Sapienza", Rome (Italy). Team “porous materials and textured surfaces” within the ERC Advanced project “Cavitation across scales: following Bubbles from Inception to Collapse – BIC” lead by dal Prof. Casciola.
* 01/11/2013–31/12/2015 Postdoctoral Research Fellow, École Polytechnique Fédérale de Lausanne, Losanna (Svizzera). Member of the group of Prof. Roethlisberger. Member of the National Centre for Competence in Research – NCCR - MARVEL and MUST.
* 01/09/2009–31/10/2012 Research Fellow (from 1/5/2001 EC-FP7 Marie-Curie Fellow), University College Dublin, (Ireland). Leader of the team "Nanomaterials for Energy and ICT applications" of the "Laboratory of Advanced Simulations" lead by Prof. G. Ciccotti.
* 01/01/2002–31/10/2013 Permanent Staff Member, CASPUR/CINECA Supercomputing Centre, Rome (Italy). Leader of the Computational Statistical Mechanics team. (2006-2009) Coordinator of the programme "Scientific and Technical Computing" of the CASPUR supercomputing centre
* 15/03/2001–31/12/2001 Fixed term appointment, CASPUR Supercomputing Centre, Rome (Italy)
* 09/01/2001–14/03/2001 Visiting Research Fellow, Princeton University, Princeton (NJ, USA). Visiting postdoc researcher of the group of Prof. Car.
* 01/03/1999–29/02/2000 Visiting PhD Student, Max-Planck-Institut Für Festkorperförschung, Stuttgart (Germany)
Visiting PhD student of the group of Prof. Parrinello.
TEACHING
* 2016 – 2019 Course: “Laboratory of atomistic and microfluidic simulations”, MSc in Nanotechnology Engineering, University of Roma “La Sapienza”, Roma (Italy)
* 2014-2016 Course: “Introduction to Bioinformatics”, Doctoral School in Chemistry, University of Roma “La Sapienza”, Roma (Italy)
* 2014 Monographic course: “Basic quantum-chemistry: the Hartree-Fock method” Part of the course “Introduction to Computational Chemistry”, EPFL, Lausanne (CH)
* 2014 Tutoring for the students of the course “Advanced Computational Methods”, EPFL, Lausanne (CH).
24/4/2014 Lecture: “A stroll along modern rare event methods: general ideas and derivation of some of the most promising techniques”, Doctoral School in Physics and Theoretical Chemistry, University of Duisburg-Essen (GE)
* 2013 Monographic course: “Study of rare events by computer simulations”, Doctoral Schools in Physics of “La Sapienza” and “Roma Tre” Universities
* 2012 Monographic course: “Theory and computational techniques to study rare events in atomistic and molecular simulations.”, Doctoral Schools in Physics and Chemistry of the University College Dublin.
* 2007-2009 Monographic course: “Molecular Simulations”, EC Master Erasmus Mundus Atosim (partnership among ENS Lyon, FR, “La Sapienza” Rome and Universiteit van Amsterdam and Vrije Universiteit Amsterdam, NL).
* 2007-2009 Monographic course: “Simulation of rare events”, Doctoral Schools in Physics of “La Sapienza” and “Roma Tre” Universities
* 2009-2009, 2011 Course: “Parallel Programming for Scientific Applications”, “CASPUR Summers School of Advanced Computing”
FUNDING
* 2018 PI of the PRACE project – ADRENALINE - hAliDe peRovskites sEqueNtiAL deposItioN mEchanism (by ab initio rare events simulations). 78x10^6 corehours at the CSCS supercomputing centre (CH) - corresponding to ~1400000€
* 2017 Partner of the PRACE project – UNWRAP: Understanding Water Induced Degradation of Hybrid Perovskites. 53x10^6 corehours at the CINECA supercomputing centre (Italy) - corresponding to ~1000000€
* 2017 PI of the “La Sapienza” project “Porous Lyophobic Crystalline Materials for Mechanical Energy Storage”, n. RG11715C81D4F43C - Budget ~40000€ for 1 year
* 2015 Partner of the Swiss Science National Foundation R’Equip project - Budget 135000 CHF from SNF plus 135000 CHF matching funds from the EPFL for the acquisition of a cluster
* 2015 Partner of the PRACE project "WETMD - Unravelling the Salvinia paradox: towards a new generation of superhydrophobic surfaces". 2 years project: 1° year 50 x10^6 corehours, 2° year 39 x106 core hours at the CINECA supercomputing centre (Italy) - corresponding to ~1700000€
* 2015 Partner of the PRACE project "PeroCondution: Electron-Hole transport in Perovskites materials by non- equilibrium electron dynamics". 17x10^6 corehours at the LRZ supercomputing centre (Germany) - corresponding to ~325000€
* 2013 Partner of the PRACE project "SLIP - Salvinia-inspired surfaces in action: slip, cavitation, and drag reduction" 30 x10^6 core hours at the CINECA supercomputing centre (Italy) - corresponding to ~950000€
* 2012 Senior partner of the Ministry of Higher Education FIRB 2010 project “Clathrates hydrates and non-hydrates: multifunctional materials for energy applications. Modeling of the crystallization and diffusion processes connected with their technological applications.”, grant no. RBFR10ZUUK, Budget ~35000€. Leader of the unit for the development of methods for the study of nucleation and diffusion of enclathrated molecules
* 2011 PI of the EC-FP7 Marie Curie IntraEuropean Fellowship project “SimDepro: Deprotonation of organic molecules in solution by ab-initio MD and rare events simulation techniques.”, grant no. 255406, Budget ~180000€
* 2010-2011 PI of the FP7-DEISA Extreme Computing Initiative “DePro”. 2.1x10^6 core hours (corresponding to ~40000€)
* 2010 Partner of the Italian Institute of Technology SEED project “SIMBEDD - Advanced Computational Methods for Biophysics, Drug Design and Energy Research.”, grant no. 259. Budget ~800000€
2009-2012 PI of 2 class A and 5 class C project at the Irish Centre for High-End Computing. 7x10^6 total core hours - corresponding to ~133000€
* 2009 Senior partner of the Science Foundation Ireland PI-GRANT “Advanced Molecular Simulations”, No. 08-IN.1-I1869. Budget ~800000€. Leader of the team "Nanomaterials for Energy and ICT applications".
COORDINATION, MENTORING AND SUPERVISION
* 2018 – 2019 Marco Tortora, MSc thesis, Nanotechnology Engineering, University of Rome “La Sapienza”
* 2018 – 2019 Emanuele Lisi, Postdoctoral level collaborator, Dept. of Mechanical and Aerospace Engineering, University of Rome “La Sapienza”
* 2015 – 2019 Sara Marchio, PhD student, Dept. of Mechanical and Aerospace Engineering, University of Rome “La Sapienza”
* 2013 - 2017 Matteo Amabili, MSc Thesis, Dept. of Physics, University of Rome “La Sapienza”; PhD student of the Doctoral School in Theoretical and Applied Mechanics, University of Rome “La Sapienza”; Postdoctoral researcher, Dept. of Mechanical and Aerospace Engineering, University of Rome “La Sapienza”
* 2013 Meisam Pourali, Visiting PhD student, Dept. of Physics, University of Rome “La Sapienza”
* 2012 Aditya Choudhary, MSc international internship at the University College Dublin - Student of the Institute of Technology, Banaras Hindu University (India)
* 2011-2013 Alberto Giacomello, PhD student of the Doctoral School in Theoretical and Applied Mechanics, University of Rome “La Sapienza”.
* 2011 Dominika Lesniki, BSc international internship at the University College Dublin - Student of the École Normale Superieure de Paris (Fr)
* 2010 Pierre-Antoine Geslin, MSc international internship at the University College Dublin - Student of the École Nationale de Mines de St-Etienne (Fr)
* 2010-2013 Marco Lauricella, PhD student, School of Physics, University College Dublin (IE).
* 2010-2012 Jeremy Lucid, PhD student, School of Physics, University College Dublin (IE).
* 2007-2013 Mariella Ippolito, Postdoctoral level collaborator, CASPUR Supercomputing Centre.
* 2010-2012 Alin Marin Elena, PhD student, School of Physics, University College Dublin (IE).
* 2007-2010 Sergio Orlandini, PhD Student, Doctoral School in Chemistry, University of Rome “La Sapienza”
* 2006-2009 Fabio Sterpone, Postdoctoral level collaborator, CASPUR Supercomputing Centre.
* 2004-2011 Luca Ferraro, Permanent staff member of the CASPUR Supercomputing Centre.
* 2003-2004 Costantino Zazza, Postdoctoral level collaborator, CASPUR Supercomputing Centre.
ESTEEM INDICATORS
2018 “Highlights 2017” di Journal of Physics: Condensed Matter. The article “Intrusion and extrusion of a liquid on complex nanostructured surfaces”, J. Phys.: Condens. Matter 29, 014003 (2017) has been selected for the “Highlights 2017”of the Journal of Physics: Condensed Matter, http://iopscience.iop.org/journal/0953-8984/page/Highlights-2017
2018 ESI “Top Papers” of the Web of Science. “Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells”, Nature Communications 7, 10334 (2016) has received the ESI “Top Papers” recognition of the Web of Science.
2018 ESI “Top Papers” of the Web of Science. The article “Entropic Stabilization of Mixed A-Cation ABX3 Metal Halide Perovskites for High Performance Perovskite Solar Cells” has received the ESI “Top Papers” recognition of the Web of Science.
2017 Chair the symposium “Mesoscopic Solar Cells” of the 21’ conference “Solid State Ionics” (2017)
2017 Chair del symposium “Perovskite Solar Cells” of the conference e-MRS 2017
2016 Invited review article. “Focus Article: Theoretical aspect of vapour nucleation on structured surfaces”, J. Chem. Phys. 145, 211802 (2016); Special Issue “Nucleation: New Concepts and Discoveries”, Kenneth Kelton e Daan Frenkel Eds
2015 Backcover of Advances Materials Interfaces. “Superhydrophobicity: Unraveling the Salvinia Paradox: Design Principles for Submerged Superhydrophobicity”, Advanced Materials Interfaces 2, 1500248 (2015)
2017 Chair of the conference “Superhydrophobicity, Bubble Stability and Heterogeneous Nucleation”,
2014 Section Editor of the Encyclopedia of Nanotechnology, Springer; Editor of the section “Molecular Modeling”
2012-2013 Guest Editor of Molecular Physics; Special Issue in honor of Giovanni Ciccotti 70’s Birthday
2012 Prize Ireland’s Champions of EU research
2012 Invited review article "Theory and methods for rare events", Eur. Phys. J. B, 85, 97 (2012)
2012 - Member of the board of the Doctoral School in Theoretical and Applied Mechanics
TALKS AT CONFERENCES AND WORKSHOPS
46 - (invited) "Multiscale Simulations of Nanofluidic Porous Systems for Energy Applications", CECAM50, Lausanne (CH), 9-12 September
45 – (Invited) “Spatial and temporal multiscale simulations of nanofluidic systems: from physics and chemistry to engineering”, CECAM 50° - Italian celebration day, Bologna (IT) 9 July 2019
45 – “Dynamical Effects in Confined Nucleation”, Roma Tre Congress on Water under Extreme Conditions, Rome (IT), 12-14 June 2019
44 – (Invited) ”Lead-Halide Perovskites: theory and experiments to unveil a promising candidate for 3rd generation solar cells”, Daresbury Laboratory, Warringhton (UK), 29 June 2019
43 – (Invited) “Intrusion/Extrusion of Liquids in/from Porous Lyophobic Materials Beyond the Classical Picture”, Daresbury Laboratory, Warringhton (UK), 29 June 2019
42 – “Intrusion/Extrusion of Liquids in/from Porous Lyophobic Materials Beyond the Classical Picture”, Mainz Materials Simulation Days 2019, Mainz (GE), 5-7 June 2019
41 – (Invited) “Simulation of chemical reactions and physical processes in condensed phase with applications to energy materials.”, Department Seminar, Dept. of Chemistry, University of Napoli Federico II, May 30 2019
40 – (Invited) “Wetting of lyophobic textured surfaces and porous materials”, “Colloquium”, Trento University, 13 November 2018
39 – (Invited) “Liquid intrusion/extrusion in porous systems: atomistic and continuum rare event simulations with engineering applications”, Computer Simulation in the Physical & Life Sciences, Temple University in Roma (IT), 26 October 2018
38 – “Bubble Nucleation in Water Under Extreme Confinement: Modular Design of Hydrophobic Textured Surfaces to Enhance Self-Recovery of the Cassie-Baxter State”, WaterX exotic properties of water under extreme conditions, Maddalena Island (IT), 3-8 June 2018
37 – (Invited) “Homogeneous and Confined Nucleation of Vapor Bubbles”, ISR International Workshop Series II - The Fluid Dynamics of Bubbles across the Scales, Guangzhou (CN) 28-30 September 2017
36 – (Invited) “Rare Events: Theory and Methods”, ISR International Workshop Series II - The Fluid Dynamics of Bubbles across the Scales, Guangzhou (CN) 28-30 September 2017
35 – (Invited) “Nucleation mechanism of the sequential deposition process”, €-MRS, Warsaw (PL) 17-22 September 2017
34 – (Invited) “Mechanisms and Nucleation Rate of Methane-Hydrate by Dynamical Nonequilibrium Molecular Dynamics.”, Addressing metastability in interfacial phenomena across multiple time and length scales, Lausanne (CH), 29 August-1 September 1, 2017
33 – “Vapor nucleation under extreme confinement”, XXIX IUPAP Conference on Computational Physics (CCP2017), Paris (FR) 9-13 July 2017
32 – (Invited) “Unusual photoluminescence emissions in lead halide perovskites and their molecular origin”, 21 International Conference on Solid State Ionics, Padua (IT), 18-23 June 2017
31 – “Vapor nucleation under extreme confinement”, Congress on Water Under Extreme Conditions, 2017, Rome (IT), 14-16 June 2017
30 – (Invited) “Ab initio hydrodynamics”, 19h International Conference on Finite Elements in Flow Problems - FEF 2017, Rome (IT), 5-7 April 2017
29 – (Invited) “The Salvinia Paradox: how the hydrophilic patches help keeping the plants surface dry”, Workshop “Hybrid Methods in Molecular Simulation”, Cagliari (IT), 3-4 April 2017
28 – “The Salvinia Paradox: how the hydrophilic patches help keeping the plants surface dry”, CECAM/ESI Workshop “Water at interfaces: from proteins to devices”, Wien (AT), 29 November - 2 December 2016
27 – (Invited) “Superhydrophobicity recovery on complex surfaces”, Nanoinnovation 2016, Rome (IT), 20-23 September 2016
26 – “Dewetting of superhydrophobic surface”, mMAST, Brussels (BE), 6rd-8th September 2016
24 – “The Salvinia Paradox: how hydrophilic patches help keeping its surface dry”, Italian Soft Days, Milan (IT), 23rd-24th June 2016
23 – “Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods”, 2nd Conference on Multiscale Modelling of Condensed Phase and Biological Systems, Manchester (UK), 13th -15th April 2016
22 – “Hysteresis in perovskite solar cells: experimental and theore6cal evidence of its defect-related origin ”, Roma (IT), HOPV15, 10th-13th May 2015
21 – (Invited) “Wetting of textured surfaces by advanced atomistic and continuum simulations”, “Superhydrophobicity, bubble stability, and heterogeneous nucleation”, Rome (IT), Joint CECAM Workshop and Sapienza Conference, Rome (IT), 25th-27th June 2014
20 – (Invited) “Methane clathrate hydrate nucleation mechanism by advanced sampling techniques”, CECAM Workshop “Molecular-level understanding of nucleation”, Lausanne (CH), 23rd-25th June 2014
19 – (Invited) “Multiscale simulations to study structural and electronic properties of Si nanoparticles embedded in a-SiO2 and a-SiNx dielectrics.”, Conference “SiO2, Advanced Dielectrics and Related Devices”, Cagliari (IT), 16-18 June 2014
18 – (Inveted) “Rare event methods: modern techniques and their application to challenging chemical and physical problems”, Physical and Theoretical Chemistry Colloquia, 23 April 2014, Univ. of Duisburg-Essen
17 – (Invited) “Superhydrophobicity lost: the Cassie-Baxter to Wenzel phase transition”, “Advanced Molecular Simulation Methods in the Physical Sciences”, Beijing (CH), 24th-30th July 2013
16 – (Invited) “Time-dependent Non-equilibrium Molecular Dynamics”, ”Lorentz center international workshop “Modelling the Dynamics of Complex Molecular Systems”, Leiden (NL) 13th-24th August 2012
15 – (Invited) “A pseudo-quantum description of vacancy diffusion in crystals”, CECAM Workshop “Free energy calculations: from theory to applications”, “Modeling the dynamics of complex molecular systems” Conference, Leiden (NL) 13-24 August 2012
14 – (Invited) “A pseudo-quantum description of vacancy diffusion in crystals”, CECAM Workshop “Free energy calculations: from theory to applications”, Paris 4-8 June 2012
13 – “A novel approach to study vacancy dynamics in crystals (by rare event techniques)”, SimBioMa Conference, Konstanz (DE) 28 September – 1 October
12 – (invited) “Nanotechnology in materials and fibers”, workshop on Science and technology for the third millennium sportswear, University “Foro Italico”, Rome (IT) 11 April 2011
11 - (Invited) “Data Management in Europe”, ZCAM-CECAM workshop on Databases in Quantum Chemistry, Zaragoza (ES) 21-24 September 2010
10 - “Study of nucleation by rare event methods”, LAM 14, Rome (IT) 11-16 July 2011
9 - (Invited): “Hydrodynamics from non-equilibrium statistical mechanics: evolution of a curved interface between immiscible liquids”, SIMAI 2010, Cagliari (IT) 21-25 June 2010
8 - “Dehydrogenation mechanism in sodium alanates”, CPMD 2008, Trieste (IT) 23-27 June 2008
7 - “Dehydrogenation mechanism in sodium alanates”, SimBioMa Conference, Konstanz (DE) 5-8 April 2008
6 - “Ab-initio simulation of carbon clustering on Ni(111) surface: the bonding mechanism between Na and C.”, Conference on Computational Physics 2007, Brussels (BE) 5-8 September 2007
5 - “ESF Forward Look for non-hardware aspects of Computational Science Infrastructure”, Conference on Computational Physics 2007, Brussels (BE) 5-8 September 2007
4 - “Hydrogen Diffusion in Sodium Alanates”, Conference on Computational Physics 2007, Brussels (IT) 5-8 September 2007
3 - “Computational Material Science Application Programming Interface (CMSApi): a tool for developing applications for atomistic simulations”, INTERNATIONAL SCHOOL OF SOLID STATE PHYSICS - 34th course: Computer Simulations in Condensed Matter: from Materials to Chemical Biology.
2 - “Ab-initio study of carbon clustering on Ni(111) surface”, Conference on Computational Physics 2004, Genoa (IT) 1-4 September 2004
1 - “Reduction on arrays: comparison of performances between different algorithms”, Fifth European Workshop on OpenMP (EWOMP), 22-23 September 2003, Aachen (GE)
Organization of International Conferences and Workshops
2018 - “NanoGe Fall Meeting”, symposium “Halide perovskites: when theory meets experiment from fundamentals to devices”, Berlino (GE), 4-8 November 2019
2017 - “Addressing metastability in interfacial phenomena across multiple time and length scales”, Lausanne (CH), 28 Agosto – 1 Settembre 2017
2014 - “Binding free energy and kinetics: computation meets experiments”, Genova (IT), 10-12 Giugno 2014
2014 - “Superhydrophobicity, bubble stability, and heterogeneous nucleation”, Rome (IT), 25-27 Giugno 2014
2013 - “Five pieces and a do in computational physics, chemistry, biology, mathematics and engineering”, Rome (IT), 18-20 Dicembre 2013
2013 - “Simulations and experiments on Materials for Hydrogen Storage”, Dublin (IE), 11-13 Ottobre 2010
2008 - “Standardization and databasing of classical and ab-initio atomistic simulations”, ETH, Zurich (CH), 18-19 Settembre 2008
2008 - School “Progress in simulating activated processes”, Valle Capore (Roma, IT), 26-30 Maggio 2008
