Geneviève Dusson, Mi-Song Dupuy, Ioanna-Maria Lygatsika, A posteriori error estimates for Schrödinger operators discretized with linear combinations of atomic orbitals, 2024.
Mi-Song Dupuy, Eloïse Letournel, Antoine Levitt, Linear response and resonances in adiabatic time-dependent density functional theory, 2024.
Mi-Song Dupuy, Virginie Ehrlacher, Clément Guillot, A space-time variational formulation for the many-body electronic Schrödinger evolution equation, 2024.
Mi-Song Dupuy, Kyle Thicke, Dissociation limit of the H2 molecule in phRPA-DFT, 2022.
Thiago Carvalho Corso, Mi-Song Dupuy, Gero Friesecke, The density-density response function in time-dependent density functional theory: mathematical foundations and pole shifting, Annales de l'Institut Henri Poincaré C, 2024.
Mi-Song Dupuy, Antoine Levitt, Finite-size effects in response functions of molecular systems, SMAI Journal of Computational Mathematics, 2022.
Maxime Chupin, Mi-Song Dupuy, Guillaume Legendre, Eric Séré, Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations, ESIAM:M2AN 2021.
Mi-Song Dupuy, Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics, Journal of Computational Physics, 2021.
Mi-Song Dupuy, Gero Friesecke, Inversion symmetry of singular values and a new orbital ordering method in tensor train approximations for quantum chemistry, SIAM Journal on Scientific Computing, 2021.
Mi-Song Dupuy, Projector augmented-wave method: analysis in a one-dimensional setting, ESAIM: M2AN, 2020.
Mi-Song Dupuy, Discretization Error Cancellation in the Plane-Wave Approximation of Periodic Hamiltonians with Coulomb Singularities, Journal of Scientific Computing, 2019.
Mi-Song Dupuy, Eric Gloaguen, Benjamin Tardivel, Michel Mons, Valérie Brenner, CC2 Benchmark for Models of Phenylalanine Protein Chains: 0–0 Transition Energies and IR Signatures of the Excited State, Journal of Chemical Theory and Computation, 2019.
Xavier Blanc, Eric Cancès, Mi-Song Dupuy, Variational projector augmented-wave method : theoretical analysis and preliminary numerical results, Numerische Mathematik, 2019.
Xavier Blanc, Eric Cancès, Mi-Song Dupuy, Variational projector augmented-wave method, Comptes Rendus Mathématique, 2017.