Publications

Preprints

Published articles

  1. 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.

  2. Mi-Song Dupuy, Antoine Levitt, Finite-size effects in response functions of molecular systems, SMAI Journal of Computational Mathematics, 2022.

  3. 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.

  4. 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.

  5. 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.

  6. Mi-Song Dupuy, Projector augmented-wave method: analysis in a one-dimensional setting, ESAIM: M2AN, 2020.

  7. Mi-Song Dupuy, Discretization Error Cancellation in the Plane-Wave Approximation of Periodic Hamiltonians with Coulomb Singularities, Journal of Scientific Computing, 2019.

  8. 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.

  9. Xavier Blanc, Eric Cancès, Mi-Song Dupuy, Variational projector augmented-wave method : theoretical analysis and preliminary numerical results, Numerische Mathematik, 2019.

  10. Xavier Blanc, Eric Cancès, Mi-Song Dupuy, Variational projector augmented-wave method, Comptes Rendus Mathématique, 2017.