Academic staff
Denis JACQUEMIN
ProfessorSenior Member of the IUF 2022-2027
Junior Member of the IUF 2012-2017
Contact details
CEISAM Lab, UMR CNRS 6230, Nantes University, 2, rue de la Houssinière, 44322 Nantes Cedex 3 France
- Phone
- 0251125564 (n° interne : 455564)
- Denis.Jacquemin@univ-nantes.fr
Taught academic discipline(s)
General chemistry, theoretical chemistry, modeling, chemometrics, thermodynamics
Research topics
Research areas : Theoretical chemistry, quantum chemistry, theoretical spectroscopy
Research themes :
- Optical spectra (absorption, fluorescence, phosphorescence, organic and inorganic dyes, fluorophores...)
- Xchromism, single and coupled molecular switches.
- Benchmarks (DFT functionals, BSE/GW and wave function approaches)
- Reference values for excited-state energies and properties (chemical accuracy)
- Proton transfer (DNA and ESIPT)
- Linear and nonlinear optics (hyperpolarizabilities, two-photon absorption)
Activities / Resume
Positions:
Education:
Bibliometry:
Editorial/Advisory boards :
- 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 associate (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
Education:
- 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
Bibliometry:
- Author of more than 725 publications in international journals
- > 28000 citations (excl. self, Web-of-Science)
- H-index = 84 and M-index = 2.7 (Web-of-Science)
- 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.).
- More bibliometric data on Web-of-Science or ou Google-Scholar
Editorial/Advisory boards :
- ChemPhotoChem (link) since Jan 2021.
- J. Phys. Chem. Lett. (link) from Jan 2019 to Dec 2023 (see below).
- Phys. Chem. Chem. Phys. (link) since Jan 2017.
- Dyes & Pigm. (link) from Jan 2013 to Jan 2020 (see below), and since Jan 2024.
- Int. J. Quantum Chem (link) since Jan 2009.
- Comput. Theor. Chem. (was Theochem, link) since Jan 2008.
- Molecules (link) from Apr 2018 till Apr. 2026.
Additional information
Selected review articles
- C. Adamo and D. Jacquemin*, The Calculations of Excited-State Properties with Time-Dependent Density Functional Theory, Chem. Soc. Rev., tutorial review, 42 (2013) 845-856 doi
- A. Fihey, A. Perrier, W. R. Browne and D. Jacquemin*, Multiphotochromic Molecular Systems, Chem. Soc. Rev. 44 (2015) 3719-3759 doi
- B. Le Guennic* and D. Jacquemin*, Taking Up the Cyanine Challenge with Quantum Tools, Acc. Chem. Res.48(2015) 530-537 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) 1022-1043 doi
- P. F. Loos*, A. Scemama and D. Jacquemin*, The Quest For Highly Accurate Excitation Energies: A Computational Perspective, J. Phys. Chem. Lett., perspective, 11 (2020) 2374-2383 doi
- M. Véril, A. Scemama, M. Caffarel, F. Lipparini, M. Boggio-Pasqua, D. Jacquemin* and P. F. Loos*, QUESTDB: a Database of Highly-Accurate Excitation Energies for the Electronic Structure Community, WIREs Comp. Mol. Sc. 11 (2021) e1517 (45 p) doi
- M. T. do Casal, K. Veys, Manon H. E. Bousquet, D. Escudero* and D. Jacquemin*, First-Principles Calculations of Excited-State Decay Rate Constants in Organic Fluorophores, J. Phys. Chem. A. 127 (2023) 10033-10053 doi
- P. F. Loos*, M. Boggio-Pasqua, A. Blondel, F. Lipparini and D. Jacquemin*, QUEST Database of Highly-Accurate Excitation Energies, J. Chem. Theory Comput. 21 (2025) 8010-8033 doi
- J. Sirucek, B. Le Guennic, L. Cupellini* and D. Jacquemin*, Shortcomings of Linear-Response TD-DFT for ESA Oscillator Strength Calculations, J. Chem. Theory Comput. 22 (2026) 502-512 doi
- C. Naim*, R. Zalesny* and D. Jacquemin*, Excited-State Static Polarizabilities: CC3 Reference Values, Wavefunction and TD-DFT Benchmarks, J. Chem. Theory Comput. 22 (2026) 1907-1919 doi
- J. Sirucek, B. Le Guennic, D. Jacquemin*, B. Mennucci and L. Cupellini*, An Efficient PCM Scheme for ESA Oscillator Strengths within the Unrelaxed TD-DFT Approximation, J. Chem. Theory Comput. 22 (2026) 3585-3595 doi
- K. Ahmadzadeh*, R. Zalesny*, W. Hu and D. Jacquemin*, Two-Photon Absorption of Quadrupolar Dyes: Performance of Density Functional Approximations, J. Chem. Theory Comput. 22 (2026) 7344-7361 doi
- C. Figliola*, C. Chériaux, N. Oppé, L. Estaque, P. Retailleau, N. Vanthuyne, G. Pieters, D. Jacquemin* and G. Ulrich*, Design of Heavy-Atom Free Dipyridomethene Boron Complexes for Singlet Oxygen Emission with Induced Chirality, Chem. Comm. 62 (2026) 1919-1922 doi
- L. Hardoin, E. Sidler, J. Y. de Boer, G. Delhaye, M. Loumaigne, M. Allain, S. Goeb, A. Ryabchun, M. Sallé, D. Jacquemin*, B. L. Feringa* and D. Canevet*, Light- and Heat-Induced Reversal of Circularly Polarized Luminescence in a Single Molecule, Angew. Chem. Int. Ed. 65 (2026) e22699 (6p) doi
- F. Ceugniet, V. Ott, P. Retailleau, Y. Bretonniere, O. Maury, M. H. E. Bousquet, L. Sancey, N. Leclerc*, D. Jacquemin* and G. Ulrich*, Extended Fused Carbazole-BODIPY, High Brightness NIR Organic Dyes, Angew. Chem. Int. Ed. 65 (2026) e26011 (10p) doi
- R. Guechaichia, L. Miller, J. Bou Zeid, D. Canevet, M. allain, V. Carré, F. Aubriet, L. Pesce*, D. Jacquemin*, M. Sallé and S. Goeb, One Coordination Cage, Many Journeys: Stimuli-Directed Reversible Transformations, JACS Au 6 (2026) 2871-2880 doi
- Y. Zeng, F. Wang, D. Duan, Y. Xu, X. Luo, J. Zhao, D. Jacquemin*, D. Wang* and X. Zheng*, Molecular Descriptor of Electronic Transition for Regulating Polarity-Responsive Behavior of Heterocycle-Containing Probes, JACS Au 6 (2026) 2902-2911 doi
- F. Leon*, C. Si, C. Li, A. Thanetchaiyakup, T. V. Papineau, D. Jacquemin*, E. Zysman-Colman* and H. S.Soo*, Ligand-Dependent Locally Excited and Charge-Transfer Emission in Linear Copper(I) Mesoionic Carbene Luminophores, Adv. Opt. Mater., accepted doi
- D. Kusy, K. Horski, C. Naim, F. Bertocchi, N. Vanthuyne, K. Noworyta, B. Szymanski, R. Kaminski, F. Terenziani*, D. Jacquemin* and D. T. Gryko*, Intramolecular Direct Arylation Enables Access to Diverse Photophysical Properties for Pi-Expanded 1,4-Dihydropyrrolo[3,2-b]pyrrole, Adv. Opt. Mater., accepted
- O. Charpentier, M. Guesdon, C. Demangeat, M. Hojorat, J. Young, E. W. Evans, V. Dorcet, N. Galland, D. Jacquemin*and L. Favereau*, Extending El Sayed Rule Through 1(n,pi*) - 3(n,pi*) Rotation via Intramolecular Secondary Interaction Enables Room-Temperature Circularly Polarized Phosphorescence in Solution, Angew. Chem. Int. Ed., accepted doi
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A few covers
Updated on 23 September 2026.