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Ilaria Ciofini

Ilaria Ciofini

D-Index & Metrics

Chemistry

D-Index
66
Citations
16271
World Ranking
7241
National Ranking
247

Overview

Ilaria Ciofini is affiliated with Chimie ParisTech in France. Their research spans the fields of Chemistry and Materials Science, with a significant focus on subfields such as Materials Chemistry, Organic Chemistry, Electrical and Electronic Engineering, Atomic and Molecular Physics and Optics, as well as Physical and Theoretical Chemistry.

The scientific topics addressed in their body of work include Photochemistry and Electron Transfer Studies, Crystallization and Solubility Studies, X-ray Diffraction in Crystallography, Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Luminescence and Fluorescent Materials, and Molecular Junctions and Nanostructures.

Frequent venues for their publications comprise The Cambridge Structural Database, Journal of Computational Chemistry, Physical Chemistry Chemical Physics, Journal of the American Chemical Society, and Journal of Chemical Theory and Computation.

Among recent scientific contributions, selected papers include:

  • Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapy, 2020, Nature Communications
  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science, 2022, Physical Chemistry Chemical Physics
  • Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy, 2020, Journal of the American Chemical Society
  • Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states, 2020, Journal of Computational Chemistry
  • Increasing the Cytotoxicity of Ru(II) Polypyridyl Complexes by Tuning the Electronic Structure of Dioxo Ligands, 2020, Journal of the American Chemical Society

Ilaria Ciofini has collaborated frequently with a range of coauthors, including Carlo Adamo, Alistar Ottochian, Federica Maschietto, Laurence Grimaud, and Anna Perfetto, indicating a networked research approach within their specialty.

Best Publications

  • A Qualitative Index of Spatial Extent in Charge-Transfer Excitations

    Tangui Le Bahers;Carlo Adamo;Ilaria Ciofini

  • TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids

    Denis Jacquemin;Eric A. Perpète;Gustavo E. Scuseria;Ilaria Ciofini

  • Accurate simulation of optical properties in dyes.

    Denis Jacquemin;Eric A. Perpète;Ilaria Ciofini;Carlo Adamo

  • On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

    Denis Jacquemin;Eric A. Perpète;Ilaria Ciofini;Carlo Adamo

  • Mechanism of the palladium-catalyzed homocoupling of arylboronic acids: key involvement of a palladium peroxo complex

    Carlo Adamo;Christian Amatore;Ilaria Ciofini;Anny Jutand

  • What is the “best” atomic charge model to describe through-space charge-transfer excitations?

    Denis Jacquemin;Tangui Le Bahers;Carlo Adamo;Carlo Adamo;Ilaria Ciofini

  • Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory

    Ilaria Ciofini;Tangui Le Bahers;Tangui Le Bahers;Carlo Adamo;Carlo Adamo;Fabrice Odobel

  • Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapy.

    Johannes Karges;Shi Kuang;Federica Maschietto;Olivier Blacque

  • Assessment of Functionals for TD-DFT Calculations of Singlet-Triplet Transitions.

    Denis Jacquemin;Eric A. Perpète;Ilaria Ciofini;Carlo Adamo

  • First-principles modeling of dye-sensitized solar cells: challenges and perspectives.

    Frédéric Labat;Frédéric Labat;Tangui Le Bahers;Tangui Le Bahers;Ilaria Ciofini;Ilaria Ciofini;Carlo Adamo;Carlo Adamo

  • Photoinduced intramolecular electron transfer in ruthenium and osmium polyads: insights from theory.

    Ilaria Ciofini;Philippe P. Laine;Fethi Bedioui;Carlo Adamo

  • DFT calculations of molecular magnetic properties of coordination compounds

    Ilaria Ciofini;Claude A. Daul

  • A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells.

    Tangui Le Bahers;Thierry Pauporté;Giovanni Scalmani;Carlo Adamo

  • Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy

    Johannes Karges;Franz Heinemann;Franz Heinemann;Marta Jakubaszek;Federica Maschietto

  • On the Calculation and Modeling of Magnetic Exchange Interactions in Weakly Bonded Systems: The Case of the Ferromagnetic Copper(II) μ2-Azido Bridged Complexes

    Carlo Adamo;Vincenzo Barone;Alessandro Bencini;Federico Totti

  • Wavelength-Emission Tuning of ZnO Nanowire-Based Light-Emitting Diodes by Cu Doping: Experimental and Computational Insights

    Oleg Lupan;Thierry Pauporté;Tangui Le Bahers;Bruno Viana

  • Accurate evaluation of valence and low-lying Rydberg states with standard time-dependent density functional theory.

    Ilaria Ciofini;Carlo Adamo

  • Assessment of the ωB97 family for excited-state calculations

    Denis Jacquemin;Eric A. Perpète;Ilaria Ciofini;Carlo Adamo

  • Phototriggered Linkage Isomerization in Ruthenium-Dimethylsulfoxyde Complexes: Insights from Theory

    Ilaria Ciofini;Claude A. Daul;Carlo Adamo

  • Ultra-sensitive and selective hydrogen nanosensor with fast response at room temperature based on a single Pd/ZnO nanowire

    Oleg Lupan;Oleg Lupan;Oleg Lupan;Vasile Postica;Frédéric Labat;Ilaria Ciofini

  • First Principles Modeling of Eosin-Loaded ZnO Films: A Step toward the Understanding of Dye-Sensitized Solar Cell Performances

    Frédéric Labat;Ilaria Ciofini;Hrant P. Hratchian;Mike Frisch

Frequent Co-Authors

Carlo Adamo
Carlo Adamo Institut Universitaire de France
Denis Jacquemin
Denis Jacquemin University of Nantes
Thierry Pauporté
Thierry Pauporté PSL University
Eric A. Perpète
Eric A. Perpète University of Namur
Oleg Lupan
Oleg Lupan Technical University of Moldova
Henry Chermette
Henry Chermette Claude Bernard University Lyon 1
Alessandro Bencini
Alessandro Bencini University of Florence
Giovanni Scalmani
Giovanni Scalmani Gaussian Inc.
Michael J. Frisch
Michael J. Frisch Gaussian Inc.
Sebastiano Campagna
Sebastiano Campagna University of Messina

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