Théorie des atomes et des molécules pour la matière froide, l’astrophysique et les plasmas
(THEOMOL)

L’équipe rassemble tous les théoriciens et théoriciennes du laboratoire, elle est structurée sous forme de 4 opérations de recherches (OR) :
– OR 1 : Structure : atomes, molécules, ions
– OR 2 : Processus dynamiques élémentaires
– OR 3 : Applications quantiques
– OR 4 : Processus microscopiques : astrophysique, plasmas.
Les activités de notre équipe impliquent des études très précises de la structure, des interactions, des collisions et du contrôle de systèmes quantiques comme les atomes et les molécules, impliqués dans divers processus microscopiques comme dans la physique de la matière froide et ultra-froide, en astrophysique et dans la physique des atmosphères, dans la physique des plasmas.
Chaque OR est coordonnée par un responsable et fait intervenir plusieurs membres de l’équipe. Elles s’inscrivent dans la perspective d’applications prometteuses dans différents domaines, comme pour la chimie ultra-froide, cohérente, contrôlée, l’information et la simulation quantique, les mesures de précision, la compréhension de la physico-chimie atmosphérique et astrophysique, la compréhension des propriétés des plasmas de laboratoire.
Correspondant Web : G. Quéméner.
Nouvelles
- 02/06/2025 : Bienvenue à Christian Mainy qui commence son stage de L3 dans l’équipe.
- 13-16/05/2025 : Visite de David Rodriguez Fernandez (San Carlos, Brésil).
- 27-31/01/2025 : Visite de Ioana Doran (ETH Zürich, Suisse).
- 18-22/11/2024 : Organisation d’un workshop international à Sorbonne Université, organisé par Djamel Benredjem et Jean-Christophe Pain, intitulé “20th International Workshop on Radiative Properties of Hot Dense Matter“.
- 28/09/2024 : Soutenance de thèse de Charbel. Félicitations au Dr. Karam !
- 09/2024 : Visite de Chris Greene (Purdue University, USA).
- 01/09/2024 : Nadia passe la flambeau à Goulven pour la coordination et l’animation de l’équipe. Merci Nadia pour ton implication durant toutes ces années !
Opérations de recherche
Membres
Permanents
- Nadia BOULOUFA (MCF)
- Fréderic CARLIER (CR)
- Olivier DULIEU (DR)
- Romain GUEROUT(CR)
- Goulven QUEMENER (CR, Coordinateur)
- Romain VEXIAU (CR)
Emérites/Associés
- Djamel BENREDJEM (PREm)
- Christian JUNGEN (Chercheur Associé)
- Eliane LUC (DREm)
- Ioan SCHNEIDER (Chercheur Associé)
- Laurent WIESENFELD (DREm)
Doctorants
- Thibault DELARUE
- Tibor JONAS (cotutelle Debrecen)
- Zonghan YU
Post-doctorants
- Gohar HOVHANNESYAN
Doctorants associés
- Baraa SHAMMOUT (Hanovre)
Anciens Membres
- Ting XIE (Post-doc)
- Adrien DEVOLDER (Doc)
- Humberto DA SILVA Jr (Post-Doc)
- Charbel KARAM (Doc)
- Lucas LASSABLIERE (Doc)
- Amrendra PANDEY (Post-doc)
- Xiaodong XING (Doc)
- Alexandre VOUTE (Post-doc)
Publications
2025
- J.-C. Pain, D. Benredjem, Electron-impact ionization of Si IV–VIII in hot plasmas, J. Phys. B: At. Mol. Opt. Phys. 58, 015002 (2025)
- R. Guérout, Calculation of bound and continuum states of the Ne3 van der Waals trimer, J. Phys. B: At. Mol. Opt. Phys. 58, 015201 (2025)
2024
- D. Benredjem, J.-C. Pain, Semi-empirical cross-section formulas for electron-impact ionization and rate coefficient calculations, J. Phys. B: At. Mol. Opt. Phys. 57, 115001 (2024)
- T. Delarue, G. Quéméner, Ultracold coherent control of molecular collisions at a Förster resonance, Phys. Rev. A 109, L061303 (2024)
- Ch. Jungen, S. T. Pratt, An energy-modified quantum defect method for the analysis of Rydberg spectra: Application to 2-butyne, J. Chem. Phys. 161, 094107 (2024)
- A. Pandey, R. Vexiau, L. G. Marcassa, O. Dulieu, N. Bouloufa-Maafa, Ultracold charged atom-dimer collisions: State-selective charge exchange and three-body recombination, Phys. Rev. Res. 6, 043010 (2024)
- X. Xing, P. Weckesser, F. Thielemann, T. Jónás, R. Vexiau, N. Bouloufa-Maafa, E. Luc-Koenig, K. W. Madison, A. Orbán, T. Xie, T. Schaetz, O. Dulieu, Competing excitation quenching and charge exchange in ultracold Li-Ba+ collisions, J. Phys. B: At. Mol. Opt. Phys. 57, 245201 (2024)
2023
- C. Karam, R. Vexiau, N. Bouloufa-Maafa, O. Dulieu, M. Lepers, L. Karpa, S. Ospelkaus, and E. Tiemann, Two-photon optical shielding of collisions between ultracold polar molecules, Phys. Rev. Res. 5, 033074 (2023), arXiv:2211.08950
- D. Benredjem, J.-C. Pain, A. Calisti and S. Ferri, Plasma density effects on electron impact ionization, Phys. Rev. E 108, 035207 (2023)
- M. A. Lefrán Torres, H. F. Passagem, D. R. Fernández, E. da Costa Paul, C. A. Mojica Casique, O. Dulieu, N. Bouloufa-Maafa and L. G. Marcassa, Proposal for Zeeman slowing of Rb2 molecules in a supersonic beam, inducing internal cooling, J. Phys. B: At. Mol. Opt. Phys. 56, 065301 (2023), https://iopscience.iop.org/journal/0953-4075
- B. Shammout, L. Karpa, S. Ospelkaus, E. Tiemann, O. Dulieu, Modeling photoassociative spectra of ultracold NaK+K, J. Phys. Chem. A, 127, 7872 (2023), https://doi.org/10.1021/acs.jpca.3c01823, in the virtual issue on Cold Chemistry, arXiv:2303.11891
- A. Voute, A. Dörfler, L. Wiesenfeld, O. Dulieu, F. Gatti, D. Pelaez-Ruiz, S. Willitsch, Charge transfer of polyatomic molecules in ion-atom hybrid traps: Stereodynamics in the millikelvin regime, Phys. Rev. Res. 5, L032021 (2023), arxiv: 2303.15327
- J. Lin, G. Chen, M. Jin, Z. Shi, F. Deng, W. Zhang, G. Quéméner, T. Shi, S. Yi, D. Wang, Microwave shielding of bosonic NaRb molecules, Phys. Rev. X 13, 031032 (2023)
- G. Quéméner, J. L. Bohn, J. F. E. Croft [Editors’ Suggestion], Electroassociation of ultracold dipolar molecules into tetramer field-linked states, Phys. Rev. Lett. 131, 043402 (2023)
- J. F. E. Croft, J. L. Bohn, G. Quéméner, Anomalous lifetimes of ultracold complexes decaying into a single channel, Phys. Rev. A 107, 023304 (2023)
2022
- T. Xie, A. Orban, X. Xing, E. Luc-Koenig, R. Vexiau, O. Dulieu, and N. Bouloufa-Maafa, Engineering long-range interactions between ultracold atoms with light, J. Phys. B: At. Mol. Opt. Phys. 55 (2022), arxiv :2110.15240
- D. Benredjem, J.-C. Pain, A. Calisti and S. Ferri, Ionization by electron impacts and ionization potential depression, J. Phys. B 55, 105001 (2022)
- N. Joshi, M. Niranjan, A. Pandey, Olivier Dulieu, Robin Côté, and S. A. Rangwala, Homonuclear ion-atom collisions : Application to Li-Li+ , Phys. Rev. A 105, 063311 (2022)
- J. Szczepkowski, A. Grochola, W. Jastrzebski, P. Kowalczyk, R. Vexiau, N. Bouloufa-Maafa, O. Dulieu, Study of excited electronic states of the 39KCs molecule correlated with the K(42S)+Cs(52D) asymptote: experiment and theory, J. Quantum Spectrosc. Rad. Transf. 291, 1083330 (2022) arXiv:2207.02484
- M. Lepers, O. Dulieu, J.-F. Wyart (posthumously), FitAik: a package to calculate least-square fitted atomic transitions probabilities. Application to the Er+ lanthanide ion, J. Quantum Spectrosc. Rad. Transf. 297, 108470 (2023), arxiv.org/abs/2207.14001
- X. Xing, H. da Silva Jr, R. Vexiau, N. Bouloufa-Maafa, S. Willitsch, and O. Dulieu, Ion loss events in a cold Rb-Ca+ hybrid trap: photodissociation, black-body radiation and non-radiative charge exchange, Phys. Rev. A 106, 062809 (2022) arXiv:2209.08008
- L. Lassablière, G. Quéméner, Model for two-body collisions between ultracold dipolar molecules around a Förster resonance in an electric field, Phys. Rev. A 106, 033311 (2022)
- M. Schmidt, L. Lassablière, G. Quéméner, T. Langen, Self-bound dipolar droplets and supersolids in molecular Bose-Einstein condensate, Phys. Rev. Research 4, 013235 (2022)
- G. Quéméner, James F. E. Croft, John L. Bohn, Electric field dependence of complex-dominated ultracold molecular collisions, Phys. Rev. A 105, 013310 (2022)
- K. Giers, S. Spezzano, F. Alves, P. Caselli, E. Redaelli, O. Sipilä, M. Ben Khalifa, L. Wiesenfeld, S. Brünken, and L. Bizzocchi, Deuteration of c-C3H2 towards the pre-stellar core L1544, Astronomy & Astrophysics, 664, A119 (2022)
- L. Wiesenfeld, Quenching transitions for the rovibrational transitions of water: Ortho-H2O in collision with ortho-and para-H2, The Journal of Chemical Physics, 157(17), (2022)
- A. Bergeat, A. Faure, L. Wiesenfeld, C. Miossec, S. B. Morales, and C. Naulin, Near-threshold and resonance effects in rotationally inelastic scattering of D2O with normal H2, Molecules, 27 (21)7535 (2022)
2021
- J.-C. Pain and D. Benredjem, Simple electron-impact excitation cross-sections including plasma density effects, High Energy Density Physics 38, 100923 (2021)
- A. Mohammadi, A. Krükow, A. Mahdian, M. Deiß, J. Pérez-Ríos, H. da Silva Jr., M. Raoult, O. Dulieu, J. Hecker Denschlag, Life and death of a cold BaRb+ molecule inside an ultracold cloud of Rb atoms, Phys. Rev. Res. 3, 013196 (2021), arXiv:2005.09338
- M.-G. Hu, Y. Liu, M. A. Nichols, L. Zhu, G. Quéméner, O. Dulieu, K.-K. Ni, Nuclear spin conservation enables state-to-state control of ultracold molecular reactions, Nat. Chem., 13, 435 (2021), arXiv:2005.10820
- A. Devolder, M. Desouter-Lecomte, O. Atabek, E. Luc-Koenig and O. Dulieu, Laser control of ultracold molecule formation: The case of RbSr, Phys. Rev. A 103, 033301 (2021) arXiv:2011.12813
- J. He, J. Lin, R. Vexiau, N. Bouloufa, O. Dulieu, D. Wang, Characterization of the lowest excited-state ro-vibrational level of 23Na87Rb, New J. Phys. 23, 115003 (2021), arXiv:2108.00624v1
- F. Dahlmann, C. Lochmann, A. N. Marimuthu, M. Lara-Moreno, T. Stoecklin, P. Halvick, M. Raoult, O. Dulieu, R. Wild, S. Schlemmer, S. Brunken, and R. Wester, Strong ortho/para effects in the vibrational spectrum of Cl−(H2), J. Chem. Phys. 155, 241101 (2021)
- J.-R. Li, W. G. Tobias, K. Matsuda, C. Miller, G. Valtolina, L. De Marco, R. R. W. Wang, L. Lassablière, G. Quéméner, J. L. Bohn, J. Ye, Tuning of dipolar interactions and evaporative cooling in a three-dimensional molecular quantum gas, Nature Physics 17, 1144 (2021)
- G. Quéméner, M.-G. Hu, Y. Liu, M. A. Nichols, L. Zhu, K.-K. Ni, Model for nuclear spin product-state distributions of ultracold chemical reactions in magnetic fields, Phys. Rev. A 104, 052817 (2021)
- R. Bause, A. Schindewolf, R. Tao, M. Duda, X.-Y. Chen, G. Quéméner, T. Karman, A. Christianen, I. Bloch, X.-Y. Luo, Collisions of ultracold molecules in bright and dark optical dipole traps, Phys. Rev. Research 3, 033013 (2021)
- J. He, X. Ye, J. Lin, M. Guo, G. Quéméner, D. Wang, Observation of resonant dipolar collisions in ultracold 23Na87Rb rotational mixtures, Phys. Rev. Research 3, 013016 (2021)
- L. Wiesenfeld, Quantum nature of molecular vibrational quenching: Water–molecular hydrogen collisions, The Journal of Chemical Physics, 155(7) 2021
- M. Amor, K. Hammami, and L. Wiesenfeld, Rotational (de)-excitation of HMgNC in collision with He, Monthly Notices of the Royal Astronomical Society, vol. 506(1), 957 (2021)
2020
- A. Pandey, M. Niranjan, N. Joshi, and S. A. Rangwala, R. Vexiau and O. Dulieu, Interaction potentials and collision cross sections for ultracold 7Li+-7Li ion-atom system, Phys. Rev. A 101, 052702 (2020)
- M. BEN Kosicki, P. S. Żuchowski, M. L. González-Martínez and O. Dulieu, Product-state distribution after isotopic substitution in ultracold atom–molecule collisions, J. Phys. B 53, 07LT01 (2020), arXiv:1910.04263
- R. Ben-Shlomi, R. Vexiau, Z. Meir, T. Sikorsky, N. Akerman, M. Pinkas, O. Dulieu, R. Ozeri, Strong angular-momentum mixing in ultracold atom-ion excitation-exchange, Phys. Rev. A, 102, 031301 (2020), arXiv:1907.06736
- T. Xie, M. Lepers, R. Vexiau, A. Orbán, O. Dulieu, and N. Bouloufa-Maafa, Optical shielding of destructive chemical reactions between ultracold ground-state NaRb molecules, Phys. Rev. Lett. 125, 153202 (2020), arXiv:2006.09014
- K. Matsuda, L. De Marco, J.-R. Li, W. G. Tobias, G. Valtolina, G. Quéméner, J. Ye, Resonant collisional shielding of reactive molecules using electric fields, Science 370, 1324 (2020)
- J. F. E. Croft, J. L. Bohn, G. Quéméner, Unified model of ultracold molecular collisions, Phys. Rev. A 102, 033306 (2020)
- R. C. Fortenberry and L. Wiesenfeld, A molecular candle where few molecules shine: HeHHe+, Molecules, 25(9), 2183 (2020)
- M. Ben Khalifa, E. Quintas-Sánchez, R. Dawes, K. Hammami, and L. Wiesenfeld, Rotational quenching of an interstellar gas thermometer: CH3CN-He collisions, Physical Chemistry Chemical Physics, 22, (31), 17494 (2020)
- E. Sahnoun, L. Wiesenfeld, and K. Hammami, Potential energy surface for the CH4–H2 van der Waals interaction, The Journal of Physical Chemistry A, 124(16), 3242 (2020).
36. Harju, Jorma et al. , Efficient methanol production on the dark side of a prestellar core, The Astrophysical Journal, 895 (2), 101, (2020) - A. Bergeat, S. B. Morales, C. Naulin, L. Wiesenfeld, and A. Faure, Probing low-energy resonances in water-hydrogen inelastic collisions, Physical Review Letters, 125 (14) 143402, (2020)
- T. G. Lee, W. Jarrah, D. Benredjem, J.-C. Pain, M. Busquet, M. Klapisch, A. J. Schmitt, J. W. Bates, J. Giuliani, Super-transition-array calculations for synthetic spectra and opacity of high-density, high-temperature germanium plasmas,High Energy Density Physics 35, 100742 (2020)
2019
- R. Vexiau, J.-M. Launay and A. Simoni, Quasi-one-dimensional ultracold rigid-rotor collisions: Reactive and nonreactive cases, Phys. Rev. A 100, 012704 (2019)
- H. F. Passagem, R. Colín-Rodríguez, J. Tallant, P. Cesar Ventura da Silva, N. Bouloufa-Maafa, O. Dulieu, and L. G. Marcassa, Continuous Loading of Ultracold Ground-State 85Rb2 Molecules in a Dipole Trap Using a Single Light Beam, Phys. Rev. Lett. 122, 123401 (2019)
- M. Ben Khalifa, E. Sahnoun, L. Wiesenfeld, F. Khadri, K. Hammami, O. Dulieu, S. Spezzano and P. Caselli, Rotational (de)-excitation of cyclic and linear C3H2 by collision with He, Phys. Chem. Chem. Phys. 21, 1443 (2019)
- A Orbán, T Xie, R Vexiau, O Dulieu and N Bouloufa-Maafa, Hyperfine structure of the electronically-excited states of the 39K133Cs molecule, J. Phys. B 52, 135101 (2019)
- A. Devolder, E. Luc-Koenig, O. Atabek, M. Desouter-Lecomte, O. Dulieu, Laser-Assisted Self-Induced Feshbach resonance for ultracold polar molecule formation, Phys. Rev. A 100, 052703 (2019) arXiv:1902.00323
- H. Li, G. Quéméner, J.-F. Wyart, O. Dulieu, M. Lepers, Purely long-range polar molecules composed of identical lanthanide atoms, Phys. Rev. A 100, 042711 (2019), arXiv:1907.03853
- M.-G. Hu, Y. Liu, D. D. Grimes, Y.-W. Lin, A. H. Gheorghe, R. Vexiau, N. Bouloufa-Maafa, O. Dulieu, Kang-Kuen Ni, Direct Observation of Ultracold Bimolecular Reactions, Science, 366, 1111 (2019) arXiv:1907.13628
- A. Hernández-Gómez, E. Sahnoun, E. Caux, L. Wiesenfeld, L. Loinard, S. Bottinelli, K. Hammami, and K. M. Menten, Modelling the abundance structure of isocyanic acid (HNCO) towards the low-mass solar type protostar IRAS16293–2422A, Monthly Notices of the Royal Astronomical Society, 483(2) 2014 (2019)
- M. Ben Khalifa, L. Wiesenfeld, and K. Hammami, Interaction of the simple carbene c-C3H2 with H2: potential energy surface and low-energy scattering, Physical Chemistry Chemical Physics, 21(19) 9996 (2019)
- W. Jarrah, D. Benredjem and J.-C. Pain, Plasma potential and opacity calculations, High Energy Density Physics 32, 8 (2019)
2018
- J. H. Becher, S. Baier, K. Aikawa, M. Lepers, J.-F. Wyart, O. Dulieu, F. Ferlaino, Anisotropic polarizability of erbium atoms, Phys. Rev. A 97, 012509 (2018)
- Kalyan Chakrabarti, J. Mezei, M. Ousmanou, A. Faure, O. Dulieu, K. Hassouni, I. Schneider, Dissociative recombination of the CH+ molecular ion at low energy, J. Phys. B : At. Mol. Opt. Phys. 51 104002 (2018)
- J. Szczepkowski, A. Grochola, P. Kowalczyk, O. Dulieu, R. Guérout, P. S. Żuchowski, W. Jastrzebski, Experimental and theoretical study of the B(2)2Σ+→ X(1)2Σ+ system in the KSr molecule, J. Quant. Spectrosc. Radiat.Transf., 210, 217 (2018)
- R. Sawant, O. Dulieu, S. A. Rangwala, Detection of ultracold molecules using an optical cavity, Phys. Rev. A 97, 063405 (2018)
- L. Bruder, U. Bangert, M. Binz, D. Uhl, R. Vexiau, N. Bouloufa-Maafa, O. Dulieu, F. Stienkemeier, Coherent multidimensional spectroscopy of dilute gas-phase nanosystems, Nature Comm. 9, 4823 (2018)
- M. Lepers, H. Li, J.-F. Wyart, G. Quéméner, O. Dulieu, Ultracold rare-earth magnetic atoms with an electric dipole moment, Phys. Rev. Lett. 121, 063201 (2018) arXiv:1803.04159
- A. Devolder, E. Luc-Koenig, O. Atabek, M. Desouter-Lecomte, O. Dulieu, Proposal for the formation of ultracold deeply-bound RbSr dipolar molecules by all-optical methods, Phys. Rev. A 98, 053411 (2018)
- T. Chalopin, V. Makhalov, C. Bouazza, A. Evrard, A. Barker, M. Lepers, J.-. Wyart, O. Dulieu, J. Dalibard, R. Lopes, and S. Nascimbene, Anisotropic light shift and magic polarization of the intercombination line of dysprosium atoms in a far-detuned dipole trap, Phys. Rev. A, 98, 040502(R) (2018)
- M. Guo, X. Ye, J. He, M. L. González-Martínez, R. Vexiau, G. Quéméner, D. Wang, Dipolar collisions of ultracold ground-state bosonic molecules, Phys. Rev. X 8, 041044 (2018)
- L. Lassablière, G. Quéméner, Controlling the scattering length of ultracold dipolar molecules, Phys. Rev. Lett. 121, 163402 (2018)
- M. Guo, X. Ye, J. He, G. Quéméner, D. Wang, High-resolution internal state control of ultracold NaRb molecules, Phys. Rev. A 97, 020501(R) (2018)
- C. Balança, F. Dayou, A. Faure, L. Wiesenfeld, and N. Feautrier, Rotationally inelastic collisions of SiO with H2, Monthly Notices of the Royal Astronomical Society 479(2) 2692 (2018)
- L. Wiesenfeld, J. Oomens, and A. S. Cheung, Theory, experiment, and simulations in laboratory astrochemistry , Physical Chemistry Chemical Physics, 20(8)5341 (2018)
- E. Mills, A. Ginsburg, K. Immer, J. Barnes, L. Wiesenfeld, A. Faure, M. Morris, and M. Requena-Torres, The dense gas fraction in galactic center clouds, The Astrophysical Journal, 868(1) 7(2018)
- E. Sahnoun, L. Wiesenfeld, K. Hammami, and N. Jaidane, van der Waals interaction of HNCO and H2: Potential energy surface and rotational energy transfer, The Journal of Physical Chemistry A, 122, (11), 3004 (2018)
- S. Niyonzima, N. Pop, F. Iacob, Å. Larson, A. E. Orel, J. Zs. Mezei, K. Chakrabarti, V. Laporta, K. Hassouni, D. Benredjem, A. Bultel, J. Tennyson, D. Reiter, I. F. Schneider, Low-energy collisions between electrons and BeD+, Plasma Sources Science and Technology 27, 025015 (2018)
Manuscripts de thèse
2024
Charbel Karam – Optical shielding of collisions between ultracold polar molecules (28/11/2024)
2021
Lucas Lassablière – Collisions of ultracold dipolar molecules controlled by electric and electromagnetic fields (09/12/2021)
Xiaodong Xing – Modelling ion losses in cold ion-atom hybrid traps : photodissociation and non-radiative processes (21/09/2021)
2019
Adrien Devolder – Laser control of the formation of ultracold paramagnetic polar molecules (08/10/2019)
2017
Humberto Da Silva Jr. – Structure and dynamics of cold molecular ions : formation and destruction processes (10/07/2017)
Manuscripts de stage
2023
Conférences
2025
2024
06/2024 : Goulven Quéméner – Electroassociation of ultracold dipolar molecules into long-range tetramer states
Posters
2025
2024
06/2024 : Thibault Delarue, Goulven Quéméner – Ultracold coherent control of molecular collisions at a Förster resonance
- NASA DECODE Harvard MIT (2025-2027) [LW]
- ANR FEWBODYK (2024-2027) [OD]
- IEA CNRS INUIT (2023-2025) [OD]
- PHC BALATON INUIT (2023-2025) [NB]
- Seed Fund MIT-France (2023-2024) [LW]
- ANR OPENMINT (2022-2026) [OD]
- ANR PRCI COCOTRAMOS (2021-2025) [NB]
- PHC BALATON OPTICCAM (2018-2021) [NB]
- ANR JCJC FEW2MANY-SHIELD (2017-2021) [GQ]
- ANR PRCI COLDHMINUS (2017-2020) [OD]
- COST “Our Astrochemical History” (2015-2018) [LW]