My main field of research is the the numerical analysis and simulation of PDEs, with a particular interest for problems arising from electronic structure theory and quantum chemistry or physics. My work can be summarized in two main aspects:
the numerical analysis of existing methods, in order to understand the behavior of the algorithms and discretization methods that are used in practice,
the development of new numerical methods, whether to estimate different sources of errors arising in numerical simulations or to improve the efficiency of existing methods.
This requires in general tools from the broader fields of numerical analysis and scientific computing, which I am also interested in and enjoy learning about: optimization, numerical linear algebra, analysis of PDEs, etc...
Taha Bamhaoute, Estimation d’erreur et optimisation de méthodes numériques pour la théorie de la fonctionnelle de densité (juin - septembre 2024, stage M1 Matmeca, Bordeaux INP, avec Jean-Paul Chehab).
Numerical analysis of methods and algorithms in electronic structure
Error control and post-processing techniques in plane-wave density functional theory
Numerical methods for the time-dependent Gross-Pitaevskii equation
CC BY-SA 4.0 Gaspard Kemlin. Last modified: March 19, 2026.
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