Mi-Song Dupuy, Dr.
Technische Universität MünchenZentrum Mathematik - M7
Boltzmannstraße 3
85747 Garching Room: 03.08.021
Email: dupuy
ma.tum.de
Vita
- 09/2018 - now Postdoc at TU München with Prof. Gero Friesecke.
- 01/2015 - 09/2018 PhD student at the Laboratoire Jacques-Louis Lions in Université Paris-Diderot under the supervision of Prof. Xavier Blanc
.
Research interests
- Numerical analysis of eigenvalue problems in quantum chemistry
- Models and methods in solid-state physics
- Tensor methods for the N-body Schrödinger equation
Publications
- 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 ππ* 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).
- Mi-Song Dupuy, Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics , submitted, (2020).
- Maxime Chupin, Mi-Song Dupuy, Guillaume Legendre, Eric Séré, Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations , submitted, (2020).
- Mi-Song Dupuy, Antoine Levitt, Finite-size effects in response functions of molecular systems , submitted, (2021).
Theses
- Analysis of the projector-augmented method for electronic structure calculations in periodic settings, PhD thesis, Université Paris-Diderot, 2018, Supervisor: Prof. Xavier Blanc.
Software
- Tensor Train Julia , Julia implementation of one-site and two-site DMRG and other linear solvers.
- PAW and VPAW methods in Julia , experimental Julia code to solve H2+ with periodic boundary conditions (Figures in Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics).
Teaching
| SS 20 | Head tutor Nonlinear partial differential equations, Prof. Marco Cicalese. |
| SS 20 | Tutor Foundations of Data Analysis, Prof. Massimo Fornasier. |
| WS 19/20 | Head tutor Partial differential equations, Prof. Marco Cicalese. |
| SS 19 | Tutor Foundations of Data Analysis, Prof. Massimo Fornasier. |
| WS 18/19 | Head tutor Partial differential equations, Prof. Gero Friesecke. |
| SS 18 | Tutor Introduction to numerical analysis, (Université Paris-Diderot). |
| WS 17/18 | Tutor Numerical matrix analysis, (Université Paris-Diderot). |
| SS 17 | Tutor Introduction to numerical analysis, (Université Paris-Diderot). |
| WS 16/17 | Tutor Numerical matrix analysis, (Université Paris-Diderot). |
| SS 16 | Tutor Analysis and algebra for physicists IV, (Université Paris-Diderot). |
Conferences, Workshops
- 05/2021 SIAM Material Science, Bilbao, Spain.
- 04/2021 Workshop "Tensor Network States and Applications" (part of the IPAM Program "Tensor Methods and Emerging Applications to the Physical and Data Sciences"), online, Los Angeles, USA.
- 03/2021 Workshop on "Tensor product methods for strongly correlated molecular systems", Dresden, Germany.
- 11/2020 Congrès d'Analyse Numérique pour les Jeunes, online.
- 09/2020 GAMM MOANSI meeting, online.
- 02/2020 Conference of the GDR DYNQUA, Strasbourg, France.
- 09/2019 GAMM MOANSI meeting, Munich, Germany.
- 07/2019 ICIAM, Valencia, Spain.
- 10/2018 GAMM MOANSI meeting, Berlin, Germany.
- 09/2018 Franco-German Workshop on mathematical aspects in computational chemistry, Aachen, Germany.
- 05/2017 Congrès SMAI, La Tremblade, France.
- 07/2016 CECAM workshop Mathematical and numerical analysis of electronic structure models, Roscoff, France.
