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Dr. Lucien Dupuy

Postdoctoral Fellow

Research Interests:

Lucien Dupuy’s research focuses on the development and utilization of innovative methodologies in quantum molecular dynamics. Formalisms and concepts playing a pivotal role in his work include the rigorous reformulation of quantum dynamics as a propagation of trajectories, the exact factorization picture of how non-adiabatic events unfold, and the optimization of basis set construction through Smolyak schemes.



BSc. in Physics-Chemistry, Université de Montpellier

MSc. in Cosmos, Fields, and Particles, Université de Montpellier

PhD. in Physics, Université de Montpellier, Contributions to theoretical and numerical modeling of quantum tunneling in complex systems and application to chemical reactivity


  • L. Dupuy, D. Lauvergnat & Y. Scribano (2022). Smolyak representations with absorbing boundary conditions for reaction path Hamiltonian model of reactive scattering. Chemical Physics Letters 787, 139241
  • L. Dupuy, F. Talotta, F. Agostini, D. Lauvergnat, B. Poirier & Y. Scribano (2022). Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories. Journal of Chemical Theory and Computation 18, 11, 6447–6462
  • L. Dupuy, G. Parlant, B. Poirier & Y. Scribano (2022). Direct and Accurate Calculation of Dwell Times and Time Delays Using Quantum Trajectories. Physics Letters A 456, 128548
  • L. Dupuy & Y. Scribano (2023). Coping with the node problem in resonant scattering simulations using quantum trajectories: an efficient and accurate combined analytical-numerical scheme. Eur. Phys. J. Spec. Top. 2023,1-13
  • L. Dupuy, G. Parlant, B. Poirier & Y. Scribano (2023). Making sense of transmission resonances and Smith lifetimes in one-dimensional scattering: The extended phase space quantum trajectory picture. Chemical Physics 572, 111952