Personal information

United States

Activities

Employment (5)

Cineca: Casalecchio di Reno, Emilia-Romagna, IT

2020-01 to present | HPC Specialist (SCAI)
Employment
Source: Self-asserted source
Davide Presti

Università degli Studi di Bologna: Bologna, Emilia-Romagna, IT

2019-06-01 to 2019-12 | Postdoc (Chimica Industriale)
Employment
Source: Self-asserted source
Davide Presti

University of Minnesota: MN, MN, US

2017-01-31 to 2019-01-31 (Department of Chemistry)
Employment
Source: Self-asserted source
Davide Presti

Università degli Studi di Modena e Reggio Emilia: Modena, Emilia-Romagna, IT

2015 to 2017-01-15 | Postdoctoral Fellow (Chemical and Geological Sciences)
Employment
Source: Self-asserted source
Davide Presti

Università degli Studi di Torino: Torino, Piemonte, IT

2011-09-01 to 2011-12-31 | Granted Fellowship (Chemistry)
Employment
Source: Self-asserted source
Davide Presti

Education and qualifications (4)

Université Pierre et Marie Curie: Paris, Île-de-France, FR

2013-05-01 to 2015-02-26 | Ph.D. Chimie Physique et Analitique (Specialité Chimie Théorique) (ED 388 and Chimie ParisTech)
Education
Source: Self-asserted source
Davide Presti

Università degli Studi di Modena e Reggio Emilia: Modena, Emilia-Romagna, IT

2012-01-01 to 2015-02-26 | Ph.D. in Quantum Chemistry (Chemical and Geological Sciences)
Education
Source: Self-asserted source
Davide Presti

Università degli Studi di Torino: Torino, Piemonte, IT

2011-07-15 | Master Degree in Material Science (Chemistry)
Education
Source: Self-asserted source
Davide Presti

Università degli Studi di Torino: Torino, Piemonte, IT

2008-10 | Bachelor in Material Science (Chemistry)
Education
Source: Self-asserted source
Davide Presti

Works (22)

In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye

Journal of Chemical Theory and Computation
2021-11-09 | Journal article
Contributors: Francesco Segatta; Mattia Russo; Daniel R. Nascimento; Davide Presti; Francesco Rigodanza; Artur Nenov; Andrea Bonvicini; Alberto Arcioni; Shaul Mukamel; Margherita Maiuri et al.
Source: check_circle
Crossref

Visible-Light-Driven Photocatalytic Coupling of Benzylamine over Titanium-Based MIL-125-NH2 Metal–Organic Framework: A Mechanistic Study

The Journal of Physical Chemistry C
2020-10-29 | Journal article
Contributors: Jenny G. Vitillo; Davide Presti; Ignacio Luz; Francesc X. Llabrés i Xamena; Silvia Bordiga
Source: check_circle
Crossref

Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies

Theoretical Chemistry Accounts
2020-02 | Journal article
Contributors: Davide Presti; Jan Kadlec; Donald G. Truhlar; Laura Gagliardi
Source: check_circle
Crossref

Full Correlation in a Multiconfigurational Study of Bimetallic Clusters: Restricted Active Space Pair-Density Functional Theory Study of [2Fe–2S] Systems

The Journal of Physical Chemistry C
2019-05-09 | Journal article
Contributors: Davide Presti; Samuel J. Stoneburner; Donald G. Truhlar; Laura Gagliardi
Source: check_circle
Crossref

Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)2] by Gas Adsorption

Journal of the American Chemical Society
2019-03-27 | Journal article
Contributors: Michael L. Aubrey; Matthew T. Kapelewski; Jonathan F. Melville; Julia Oktawiec; Davide Presti; Laura Gagliardi; Jeffrey R. Long
Source: check_circle
Crossref

Intramolecular Charge Transfer and Local Excitation in Organic Fluorescent Photoredox Catalysts Explained by RASCI-PDFT

The Journal of Physical Chemistry C
2018-06-07 | Journal article
Contributors: Davide Presti; Donald G. Truhlar; Laura Gagliardi
Source: check_circle
Crossref

A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer–Draw Graphical Interface

Journal of Chemical Theory and Computation
2017-05-09 | Journal article
Contributors: Davide Presti; Alfonso Pedone; Daniele Licari; Vincenzo Barone
Source: check_circle
Crossref

Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory

The Journal of Physical Chemistry C
2017-03-16 | Journal article
Contributors: Davide Presti; Liam Wilbraham; Cecilia Targa; Frédéric Labat; Alfonso Pedone; Maria Cristina Menziani; Ilaria Ciofini; Carlo Adamo
Source: check_circle
Crossref

Electronic and optical properties of the Au<inf>22</inf>[1,8-bis(diphenylphosphino) octane]<inf>6</inf> nanoclusters disclosed by DFT and TD-DFT calculations

Theoretical Chemistry Accounts
2016 | Journal article
EID:

2-s2.0-84950148894

Contributors: Muniz-Miranda, F.; Presti, D.; Menziani, M.C.; Pedone, A.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations

Physical Chemistry Chemical Physics
2016 | Journal article
EID:

2-s2.0-84954122733

Contributors: Presti, D.; Pedone, A.; Mancini, G.; Duce, C.; Tiné, M.R.; Barone, V.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approach

Journal of Computational Chemistry
2016 | Journal article
EID:

2-s2.0-84959239136

Contributors: Presti, D.; Labat, F.; Pedone, A.; Frisch, M.J.; Hratchian, H.P.; Ciofini, I.; Cristina Menziani, M.; Adamo, C.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

On the Use of Benchmarks for Multiple Properties

Computation
2016 | Journal article
Source: Self-asserted source
Davide Presti

Optical properties of the dibenzothiazolylphenol molecular crystals through ONIOM calculations: the effect of the electrostatic embedding scheme

Theoretical Chemistry Accounts
2016 | Journal article
EID:

2-s2.0-84961285171

Contributors: Presti, D.; Pedone, A.; Ciofini, I.; Labat, F.; Menziani, M.C.; Adamo, C.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Supercritical CO2 Confined in Palygorskite and Sepiolite Minerals: A Classical Molecular Dynamics Investigation

The Journal of Physical Chemistry C
2016-11 | Journal article
Source: Self-asserted source
Davide Presti

Experimental and DFT Characterization of Halloysite Nanotubes Loaded with Salicylic Acid

The Journal of Physical Chemistry C
2016-09-22 | Journal article
Source: Self-asserted source
Davide Presti

Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry

Journal of Physical Chemistry A
2015 | Journal article
EID:

2-s2.0-84930653871

Contributors: Pernot, P.; Civalleri, B.; Presti, D.; Savin, A.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Computational protocol for modeling thermochromic molecular crystals: Salicylidene aniline as a case study

Journal of Chemical Theory and Computation
2014 | Journal article
EID:

2-s2.0-84916212622

Contributors: Presti, D.; Labat, F.; Pedone, A.; Frisch, M.J.; Hratchian, H.P.; Ciofini, I.; Menziani, M.C.; Adamo, C.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Oxalyl dihydrazide polymorphism: A periodic dispersion-corrected DFT and MP2 investigation

CrystEngComm
2014 | Journal article
EID:

2-s2.0-84888406086

Contributors: Presti, D.; Pedone, A.; Menziani, M.C.; Civalleri, B.; Maschio, L.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Unraveling the polymorphism of [(p -cymene)Ru(κN-INA)Cl<inf>2</inf>] through dispersion-corrected DFT and NMR GIPAW calculations

Inorganic Chemistry
2014 | Journal article
EID:

2-s2.0-84905454902

Contributors: Presti, D.; Pedone, A.; Menziani, M.C.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Computational prediction of molecular crystal polymorphism in p-diiodobenzene: on the ability of dispersion-corrected DFT calculations

La Chimica e L'Industria
2013 | Conference paper
Source: Self-asserted source
Davide Presti

On choosing the best density functional approximation

Chemical Modelling: Applications and Theory; Royal Society of Chemistry: London, UK
2012 | Book chapter
Source: Self-asserted source
Davide Presti

On the ability of periodic dispersion-corrected DFT calculations to predict molecular crystal polymorphism in para-diiodobenzene

Chemical Physics Letters
2012 | Journal article
EID:

2-s2.0-84862883222

Contributors: Pedone, A.; Presti, D.; Menziani, M.C.
Source: Self-asserted source
Davide Presti via Scopus - Elsevier

Peer review (4 reviews for 1 publication/grant)

Review activity for Journal of chemical theory and computation : (4)