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  Pierre Monmarché, Julien Reygner. Local convergence rates for Wasserstein gradient flows and McKean-Vlasov equations with multiple stationary solutions. 2024. ⟨hal-04561589⟩
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  Federica Angiolari. On the Role of Nuclear Quantum Effects in Reactive Dynamics Simulations. Chemical Physics [physics.chem-ph]. Sorbonne Université, 2023. English. ⟨NNT : 2023SORUS340⟩. ⟨tel-04520988⟩
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  K. Lévêque-Simon, A. Camper, R. Taïeb, Jérémie Caillat, C. Lévêque, et al.. Production of positronium chloride: A study of the charge exchange reaction between Ps and Cl−. Journal of Chemical Physics, 2024, 160 (10), ⟨10.1063/5.0182498⟩. ⟨hal-04501240⟩
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  Diata Traore, Julien Toulouse, Emmanuel Giner. Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method. 2024. ⟨hal-04475187⟩
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  Johanna Klein, Julien Pilmé. Exploring the Reactivity of Donor–Acceptor Systems through a Combined Conceptual and Constrained DFT Approach. Journal of Chemical Theory and Computation, 2024, ⟨10.1021/acs.jctc.3c01248⟩. ⟨hal-04467008⟩
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  Diego Inostroza. Propuesta de un Método Acelerado utilizando Descriptores de Reactividad para Explorar Superficies de Energía Potencial en Clúster Atómicos. Coordination chemistry. Sorbonne Université; Universidad Andrés Bello (Santiago), 2023. Español. ⟨NNT : 2023SORUS514⟩. ⟨tel-04457279⟩
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  Andreas Hesselmann, Emmanuel Giner, Peter Reinhardt, Peter Knowles, Hans-Joachim Werner, et al.. A density-fitting implementation of the density-based basis-set correction method. Journal of Computational Chemistry, In press, ⟨10.1002/jcc.27325⟩. ⟨hal-04210752v2⟩
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  Patrick Chaquin. Le principe de la résonance magnétique nucléaire illustré par une expérience de cours. Le Bulletin de l'Union des Professeurs de Physique et de Chimie, 2012, 106 (941), pp.139-146. ⟨hal-04434156⟩
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  Maxime Herda, Pierre Monmarché, Benoît Perthame. Wasserstein contraction for the stochastic Morris-Lecar neuron model. 2024. ⟨hal-04170316v2⟩
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  Oriane Della-Negra, Marion L. Chevallier, Sebastien Chaussonnerie, Agnès Barbance, Delphine Muselet, et al.. Devenir des hydrochlordécones, du mirex et d'autres analogues en condition de (bio)dégradation réductive. 50e congrès du Groupe Français de recherche sur les Pesticides,, May 2022, Namur, Belgium. ⟨hal-04409949⟩
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  Agathe Fayet. Étude théorique et expérimentale du réarrangement de Hock. Chimie organique. Sorbonne Université, 2023. Français. ⟨NNT : 2023SORUS425⟩. ⟨tel-04304298⟩
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  Pier Paolo Poier, Théo Jaffrelot Inizan, Olivier Adjoua, Louis Lagardère, Jean-Philip Piquemal. Accurate Deep Learning-aided Density-free Strategy for Many-Body Dispersion-corrected Density Functional Theory. Journal of Physical Chemistry Letters, 2022, 13 (19), pp.4381-4388. ⟨10.1021/acs.jpclett.2c00936⟩. ⟨hal-03624156⟩
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  A. Pernet, J. Pilme, F. Pauzat, Y. Ellinger, F. Sirotti, et al.. Possible survival of simple amino acids to X-ray irradiation in ice: the case of glycine. Astronomy and Astrophysics - A&A, 2013, 552, ⟨10.1051/0004-6361/201220372⟩. ⟨hal-01480771⟩
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  Théo Jaffrelot Inizan. Advancing Large-Scale Molecular Dynamics through Machine Learning. Theoretical and/or physical chemistry. Sorbonne Université, 2023. English. ⟨NNT : 2023SORUS423⟩. ⟨tel-04391213⟩
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  Bartolomeo Civalleri, Roberto Dovesi, Pascal Pernot, Davide Presti, Andreas Savin. On the Use of Benchmarks for Multiple Properties. Computation, 2016, 4 (2), pp.20. ⟨10.3390/computation4020020⟩. ⟨hal-01415837⟩
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  Pascal Pernot, Bartolomeo Civalleri, Davide Presti, Andreas Savin. Prediction Uncertainty of Density Functional Approximations for Properties of Crystals with Cubic Symmetry. Journal of Physical Chemistry A, 2015, 119 (21), pp.5288-5304. ⟨10.1021/jp509980w⟩. ⟨hal-02010768⟩
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  Andreas Savin, Pascal Pernot. Acknowledging User Requirements for Accuracy in Computational Chemistry Benchmarks. Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2019, 14 (8), pp.e0221707. ⟨10.1002/zaac.202000109⟩. ⟨hal-02563664⟩

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