Discretization Error Cancellation in the Plane-Wave Approximation of Periodic Hamiltonians with Coulomb Singularities. - Mi-Song Dupuy (J. Sci. Comput., 2019)

Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations. - Maxime Chupin; Mi-Song Dupuy; Guillaume Legendre; Éric Séré (CoRR, 2020)

Variational projector augmented-wave method: theoretical analysis and preliminary numerical results. - X. Blanc; Eric Cancès; Mi-Song Dupuy (Numerische Mathematik, 2020)

Finite-size effects in response functions of molecular systems. - Mi-Song Dupuy; Antoine Levitt (CoRR, 2021)

Variational projector-augmented wave method: A full-potential approach for electronic structure calculations in solid-state physics. - Mi-Song Dupuy (J. Comput. Phys., 2021)

Inversion Symmetry of Singular Values and a New Orbital Ordering Method in Tensor Train Approximations for Quantum Chemistry. - Mi-Song Dupuy; Gero Friesecke (SIAM J. Sci. Comput., 2021)

A space-time variational formulation for the many-body electronic Schrödinger evolution equation. - Mi-Song Dupuy; Virginie Ehrlacher; Clément Guillot (CoRR, 2024)

A posteriori error estimates for Schrödinger operators discretized with linear combinations of atomic orbitals. - Geneviève Dusson; Mi-Song Dupuy; Ioanna-Maria Lygatsika (CoRR, 2024)