Davide Presti Curriculum Vitae

Davide Presti
Curriculum Vitae
C ONTACT
I NFORMATION
Birth: September 13, 1985
in Savigliano (CN), Italy
Nationality: Italian
Address: 12, Via Venasca
Torino, TO 10138 - ITALY
Present Address: 10, Rue du Dahomey
75011 Paris - FRANCE
Mobile: +39-349-5517295
E-mail 1: [email protected]
E-mail 2: [email protected]
Skype: davide5780
C URRENT
ACTIVITY,
R ESEARCH
I NTERESTS
Solid-state applications in computational chemistry (design and study of molecular, crystalline and co-crystalline forms of pharmaceutical compounds), software
development. I am working on the ab initio computational characterization of organic and metal-organic molecular crystals and collaborating with the Group of
Theoretical Chemistry in Torino for the development of the software CRYSTAL (implementation of DFT dispersion-correction schemes - XDM, TS).
I also collaborate with the MSC group of Prof. Adamo at ParisTech for the study of
electronic and optical properties of photochromic molecular crystals by means
of DFT and TD-DFT techniques.
During my M.Sc. and Grant periods in Torino, I implemented in CRYSTAL many
DFT exchange and/or correlation functionals (in collaboration with Dr. B. Civalleri): B97 and B97-like family functionals (B98, HCTH, etc.), mPW91 and C09, as
well as range-separated hybrid functionals: (i) based on the B97 functional form,
such as the long-range corrected ωB97 and ωB97-X methods, and (ii) based on the
Henderson-Janesko- Scuseria exchange-hole, in particular: the screened Coulomb
HSE06 and HSEsol functionals; the long-range corrected LC-ωPBE/PBEsol/B88;
and the middle-range corrected HISS functional.
C URRENT
P OSITION
• Visiting student at the ENSCP - Chimie ParisTech - Équipe MSC , 7575 UMR,
Laboratoire d’Électrochimie, Chimie des Interfaces et Modélisation pour l’Énergie 11, Rue Pierre et Marie Curie - 75231, Paris Cedex 05 - FRANCE
Supervisor: Prof. Carlo Adamo
• Ph.D. student at the University of Modena and Reggio Emilia, Department of
Chemical and Geological Sciences - 183, Via Campi - 41125, Modena MO - ITALY
- Since January 2012 -
Supervisor: Prof. Maria Cristina Menziani
Doctoral School in Multiscale Modelling, Computational Simulations and
Characterizations in Materials and Life Science with a Ph.D. grant supported
by European Social Fund, Ministero del Lavoro e delle Politiche Sociali, SPINNER and Regione Emilia-Romagna.
• Visiting student at the University of Torino: November 2012 - January 2013
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P ROFESSIONAL
E XPERIENCE
Grant holder at the University of Torino, Theoretical Chemistry Group (Group
Leader: Prof. R. Dovesi) - 5, Via Giuria - 10125 Torino, TO - ITALY
July-December 2011:
• Implementation and assessment of “middle-” and “short-range corrected”
HF/DFT hybrid functionals in the CRYSTAL program. Extension of the previously implemented (M.Sc. Thesis) functional equations also to the openshell case.
Stage at Pirinoli S.p.a. Paper Mill - Roccavione (Cuneo, CN) - ITALY
Chemist at the Central Chemical Laboratory
June-July 2003, June-July 2002:
• Control and analysis of industrial sewage
• Mechanical tests on paper samples
L ANGUAGE S KILLS
Mother tongue:
Italian
Foreign languages:
English: fluent - Level B2 (Upper-intermediate) course attended at The Delfin
School of English - Dublin - Ireland
French: basic knowledge
S OFTWARE S KILLS Quantum-chemistry and related software:
• Crystal, Gaussian, Quantum Espresso
• Materials Studio (Castep)
• J-Ice, Moldraw, VESTA, VMD, Gview
Operating Systems:
• Linux, Microsoft Windows
Computer Programming Languages:
• FORTRAN77, FORTRAN90
• basic C programming, BASH shell scripting, Sed, Awk
Productivity Applications:
• LATEX, Vim, Kile, most common productivity suites for Windows and Linux platforms (Microsoft Office, OpenOffice, LibreOffice)
Other:
• most common Windows/Linux software (Firefox, Chrome, BASH shell, etc.)
• basic skills about compiling, debugging and parallel/massive parallel computing
OTHER SKILLS
Diploma of Solfeggio at the State Academy of Music “G. F. Ghedini”
- Via Roma 19, 12100 Cuneo CN - ITALY
E DUCATION
University of Torino - ITALY
M.Sc. in Material Science - Theoretical Chemistry Group, July 2011
Grade: 107 out of 110
• Master Thesis Title: Assessing the performance of global and range-separated
HF/DFT hybrid methods for crystalline systems
• Supervisor: Dr. Bartolomeo Civalleri - Examiner: Prof. Piero Ugliengo
Working period:
July 2010 - July 2011
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• Implementation and assessment of several long-range corrected HF/DFT
hybrid functionals (RSHs) in the CRYSTAL code. They were tested with
band gap calculations for a set of semiconductors and insulators.
B.Sc. in Material Science - Theoretical Chemistry Group, October 2008
H OBBIES AND
Playing bass guitar, cooking
INTERESTS
E ARNED
P ROJECTS /AWARDS
- 1.000.000 scalar hours for Massively Parallel computation with the software
CRYSTAL, D. Presti, F. Labat, I. Ciofini, A. Pedone and M. C. Menziani (Project
Responsible: Prof. C. Adamo), Project 100339, May 2013 - “Photochromism of
organic molecular crystals: a quantum mechanical simulation.”, IDRIS - Institut
du Développement et des Ressources en Informatique Scientifique du CNRS
O RAL /P OSTER
2012/2013:
C OMMUNICATIONS
• IIC - CRS4 Conference Sardinia: Intermolecular Interactions in Crystals:
Via Experiment and Theory To Industrial Application - April 28-30, 2013 Hotel Flamingo, S.ta Margherita di Pula (CA) Italy : “Climbing the Jacobs ladder
of dispersion-corrected DFT: accurate models for the prediction of molecular
crystal polymorphism” - D. Presti, A. Pedone, M. C. Menziani, B. Civalleri and
L. Maschio - Oral
• 2nd National Congress of the Theoretical and Computational Chemistry
Division of the Italian Chemical Society (SCI) - February 20-22, 2013 - Centro
Culturale San Gaetano - Padova, Italy : “Benchmarking periodic dispersioncorrected DFT calculations for the prediction of molecular crystal polymorphism”
- D. Presti, A. Pedone, M. C. Menziani - Oral and poster
• XII Giornata della Chimica dell’Emilia-Romagna - SCI - December 17, 2012
- Università di Ferrara - Ferrara, Italy
“On the ability of periodic dispersion-corrected DFT calculations to predict molecular crystal polymorphism in p-diiodobenzene” - D. Presti, A. Pedone, M. C.
Menziani - Oral and poster
• CCP5 Summer School in Molecular Modeling - July 22-31, 2012 - Cardiff
University - Cardiff (U.K.)
“Benchmarking dispersion-corrected DFT calculations for the prediction of molecular crystal polymorphism” - D. Presti, A. Pedone, M. C. Menziani - Poster
S CHOOLS ,
SEMINARS AND
W ORKSHOPS
Attended:
• Avogadro Colloquia Second Edition - September 27, 2013 - Palazzo della
Carovana, Scuola Normale Superiore, Piazza dei Cavalieri 7, Pisa, Italy
• Atomistic and molecular simulations on massively parallel architectures July 16-19, 2013 - CECAM - ENSCP Chimie ParisTech, 11, rue Pierre et Marie
Curie, Paris, France
• Evento Spinner 2013 Dottorandi di Ricerca in Rete, Consorzio Spinner, Villa
Gandolfi Pallavicini, Via Martelli 22/24, Bologna, Italy
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• CCP5 Summer School in Molecular Modeling - July 22-31, 2012 - Cardiff
University - Cardiff (U.K.)
• Classes for scientific software programming: ”Introduzione al FORTRAN90”and
“Introduzione al C”- CINECA HPC COURSES - May 15-18, 2012 - Casalecchio
di Reno - Bologna, Italy
• “Applicazione della spettroscopia Raman in campo farmaceutico e della scienza
dei materiali”- CIIPS; Biopharmanet - TEC - April 12, 2012 - Università degli
Studi di Parma - Parma, Italy
• Winter Modelling 2012 - Labeling, probing and sensing: how and when theory
meets experiments - February 24, 2012 - Scuola Normale Superiore - Pisa, Italy
• 1st National Congress of the Theoretical and Computational Chemistry
Division of the Italian Chemical Society (SCI) - February 22-23, 2012 - Area
Congressi CNR - Pisa, Italy
• Spinner 2013 per i Dottorati di Ricerca - February 13, 2012 - Sala Polivalente
Regione Emilia-Romagna - Bologna, Italy
• Crystal Forms@Bologna - 6th Workshop on Crystal Forms - January 19-21,
2012 - Novotel Bologna Fiera - Università di Bologna and PolyCristalLine S.r.l. Bologna, Italy
• MSSC 2011 International School - Ab Initio Modelling in Solid State Chemistry
- September 4-9, 2011 - University of Torino - Torino, Italy
R EFERENCES
AVAILABLE TO
C ONTACT
Prof. Maria Cristina Menziani - E-mail: [email protected]
Department of Chemical and Geological Sciences - 183, Via Campi University of Modena and Reggio Emilia, 41125 Modena - ITALY
Dr. Alfonso Pedone - E-mail: [email protected]
Department of Chemical and Geological Sciences - 183, Via Campi University of Modena and Reggio Emilia, 41125 Modena - ITALY
Dr. Bartolomeo Civalleri - E-mail: [email protected]
Theoretical Chemistry Group - Department of Chemistry - 7, Via Giuria University of Torino, 10129 Torino - ITALY
Prof. Roberto Dovesi - E-mail: [email protected]
Theoretical Chemistry Group - Department of Chemistry - 7, Via Giuria University of Torino, 10129 Torino - ITALY
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