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Excited state Born–Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA, , and . Physical chemistry, chemical physics, 22 (35): 19532-19541 (2020)Multiscale Models for Light-Driven Processes, , , , and . Annual review of physical chemistry, 72 (1): 489-513 (2021)A ΔSCF model for excited states within a polarisable embedding, , , , and . Molecular physics, 121 (9-10): e2089605 (2023)Computation of forces arising from the linear Poisson--Boltzmann method in the domain-decomposition paradigm, , , and . (2022)QM/AMOEBA description of properties and dynamics of embedded molecules, , , , , , , , , and . WIREs Computational Molecular Science, (June 2023)General formulation of polarizable embedding models and of their coupling, and . The journal of chemical physics, 153 (22): 224108 (2020)Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model, , , and . Journal of chemical theory and computation, 15 (11): 6061-6073 (2019)Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions : New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters, , , , , and . Journal of chemical theory and computation, 18 (4): 2479-2493 (2022)Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation, , , and . Biochimica et biophysica acta. Bioenergetics, 1861 (4): 148049 (2020)The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling, , , and . Chemical science, 10 (42): 9650-9662 (2019)