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Junior Member of the IUF 2012-2017

Contact details

CEISAM Lab, UMR CNRS 6230, Science and Technology Faculty, BP 92208, University of Nantes, 2, rue de la Houssinière, 44322 Nantes Cedex 3 France

0251125564 (n° interne : 455564)
02 51 12 55 67

Taught academic discipline(s)

General chemistry, theoretical chemistry, modeling, chemometrics, thermodynamics

Research topics

Research areas : Theoretical chemistry, quantum chemistry, theoretical spectroscopy

Research themes :

  • Electronic excited-states (TD-DFT, BSE/GW, dyes, fluorophores, photochromism...)
  • Benchmarks (DFT functionals)
  • Microhydration (AA, DNA, proton transfert...)
  • Nonlinear optics (conjugated systems)

Activities / Resume


  • 09/10-: Professor, University of Nantes (France).
  • 10/03-08/10: Research associate (FNRS), University of Namur (Belgium).
  • 09/08-08/10: Teacher, University of Namur (Belgium).
  • 10/00-09/03: Post-doctoral researcher (FNRS), University of Namur (Belgium).
  • 08/00-09/00: Researcher (University), University of Namur (Belgium). Prof. J.M. André
  • 08/99-08/00: Post-doctoral researcher, QTP, University of Florida (USA). Prof. N.Y. Öhrn.
  • 10/95-09/99: Research assistant (FNRS), University of Namur (Belgium). Prof. J.M. André


  • Nov. 2009 : Habilitation, University Pierre and Marie Curie (Paris, France). Thesis: Modeling the properties of electronic excited-states in molecules
  • Dec. 1998: PhD in Chemistry, Highest honours, University of Namur (Belgium). Thesis: Developments of quantum chemistry methods for optimizing the geometry of stereo regular polymers
  • Jul. 1998 : Special Master in Chemistry and Physics, Highest honours, University of Namur (Belgium). Thesis: Theoretical study of the first hyperpolarizability of polymethineimine chains
  • Jun. 1995: Master in Chemistry, Highest honours, University of Namur (Belgium). Thesis: Developments of quantum chemistry methods for evaluating the hyperpolarizability of stereoregular polymers


  • Author of more than 475 publications in international journals
  • 10500 citations (no self)
  • H-index=54, M-index=2.4, i-10=238
  • Since 2005, More than 50 articles in AIP Top 20, ACS The Most, RSC Top 10 and Elsevier Hottest Article
  • Author of many covers (Chem. Phys. Lett., Phys. Chem. Chem. Phys., J. Phys. Chem. B, Chem. Soc. Rev., Chem. Sci, Chem. Eur. J., Eur. J. Org. Chem., Chem. Comm.).
  • RID E-9020-2011 link
  • ORCID 0000-0002-4217-0708 link

Editorial/Advisory boards :

  • Comput. Theor. Chem. (was Theochem, link) since january 2008.
  • Int. J. Quantum Chem ( link ) since january 2009.
  • Dyes Pigm. ( link ) since january 2013.
  • Phys. Chem. Chem. Phys. (lien) since january 2017.
  • Molecules (lien) since april 2018.

Additional informations

Selected 2018 publications
  • P. F. Loos, N. Galland and D. Jacquemin*
    Theoretical 0-0 Energies with Chemical Accuracy
    J. Phys. Chem. Lett., 9 (2018) 4646 doi
  • X. Blase*, I. Duchemin and D. Jacquemin*
    The Bethe-Salpeter Equation in Chemistry: Relations with TD-DFT, Applications and Challenges
    Chem. Soc. Rev., 47 (2018) 1018 doi
  • C. A. Guido*, B. Mennucci, G. Sclamani and D. Jacquemin*
    Excited State Dipole Moments in Solution: Comparison Between State-Specific and Linear-Response TD-DFT Values
    J. Chem. Theory Comput., 14 (2018) 1544 doi
  • D. Jacquemin*
    What is the Key for Accurate Absorption and Emission Calculations ? Energy or Geometry ?
    J. Chem. Theory Comput., 14 (2018) 1534 doi
  • C. Azarias, L. Cupellini, A. Belhboub, B. Mennucci* and D. Jacquemin*
    Modelling Excitation Energy Transfer in Covalently Linked Molecular Dyads Containing a BODIPY Unit and a Macrocycle
    Phys. Chem. Chem. Phys., 20 (2018) 1993 doi
Publications 1995-2017: download