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...)
- Photochromism, 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 650 publications in international journals
- > 24000 citations (excl. self, Web-of-Science)
- Facteur H=78, M=2.6, i-100=53, i-10=457 (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).
- Molecules (link) since Apr 2018.
- Phys. Chem. Chem. Phys. (link) since Jan 2017.
- Dyes Pigm. (link) from Jan 2013 to Jan 2020 (see below).
- Int. J. Quantum Chem (link) since Jan 2009.
- Comput. Theor. Chem. (was Theochem, link) since Jan 2008.
Additional information
Selected review articles
Theoretical contributions
- 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
Theoretical contributions
- Y. Damour*, R. Quintero-Monsebaiz, M. Caffarel, D. Jacquemin, F. Kossoski, A. Scemama, P. F. Loos*, Ground- and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality, J. Chem. Theory Comput. 19 (2023) 221-234 doi
- I. C. D. Merritt, D. Jacquemin, M. Vacher*, Non-adiabatic Coupling in Trajectory Surface Hopping: How Approximations Impact Excited-State Reaction Dynamics, J. Chem. Theory Comput. 19 (2023) 1827-1842 doi
- I. Knysh, K. Letellier, I. Duchemin, X. Blase*, D. Jacquemin*, Excited State Potential Energy Surfaces of N-Phenylpyrrole upon Twisting: Reference Values and Comparison Between BSE/GW and TD-DFT, Phys. Chem. Chem. Phys. 25 (2023) 8376-8385 doi
- I. Knysh, J. D. J. Villalobos-Castro, I. Duchemin, X. Blase*, D. Jacquemin*, Exploring Bethe-Salpeter Excited-State Dipoles: The Challenging Case of Increasingly Long Push-Pull Oligomers, J. Phys. Chem. Lett. 14 (2023) 3727-3734 doi
- M. H. E. Bousquet*, T. V. Papineau, K. Veys, D. E. Escudero, D. Jacquemin*, Extensive Analysis of the Parameters Influencing Radiative Rates Obtained Through Vibronic Calculations, J. Chem. Theory Comput. 19 (2023) 5525-5547 doi
- D. Jacquemin*, F. Kossoski, F. Gam, M. Boggio-Pasqua*, P. F. Loos*, Reference Vertical Excitation Energies for Transition Metal Compounds, J. Chem. Theory Comput. 19 (2023) in press doi
- N. Ledos, D. Tondelier, B. Geffroy, D. Jacquemin*, P. A. Bouit*, M. Hissler*, Reaching the 5% Theoretical Limit of Fluorescent OLEDs with Push-Pull Benzophospholes, J. Mater. Chem. C 29 (2023) 3826-3831 doi
- J. F. Longevial, I. Knysh, S. Al Shehim, L. Khrouz, A. Pandurangan, S. Pascal, G. Canard, C. Bucher*, D. Jacquemin*, O. Siri*, Proton-Coupled Electron Transfer in a Pivaloyl-Substituted Dihydro-Tetraazapentacene, Electrochim. Acta 449 (2023) 142224 doi
- T. Munteanu, V. Mazan, M. Elhabiri, C. Benbouziyane, G. Canard, D. Jacquemin*, O. Siri*, S. Pascal*,A Strategy to Design Substituted Tetraamino-Phenazines and Access to a NIR-Absorbing Hexaamino-Phenazinium Dye, Org. Lett. 25 (2023) 3886-3891 doi
- T. Stoerkler, G. Ulrich, A. D. Laurent, D.Jacquemin*, J. Massue*, Interplay between Dual-State and Aggregation-Induced Emission with ESIPT Scaffolds Containing Triphenylamine Substituents: Experimental and Theoretical Studies, J. Org. Chem. 88 (2023) 9225-9236 doi
- T. Baron, W. Naim, I. Nikolinakos, B. Andrin, Y. Pellegrin, D. Jacquemin*, S. Haacke*, F. Sauvage*, F. Odobel*, Transparent and Colorless DSSC Featuring Thienyl-Pyrrolopyrrole Cyanine Sensitizers, J. Mater. Chem. A 11 (2023) 16767-16775 doi
A few covers
Mis à jour le 11 October 2024.