Dr. Muhammad Hassan
Emmy Noether Junior Research Group
Numerical Analysis of Electronic Structure Methods for Molecules and Materials
Chair of Global Analysis
Academic Career and Research Areas
Dr. Hassan obtained his MS in applied mathematics from ETH Zürich in 2016. He then wrote his dissertation under Benjamin Stamm at RWTH Aachen. From 2020 to 2023, he was a postdoctoral researcher at the Laboratoire Jacques-Louis Lions in Paris, working under Yvon Maday. Between 2023 and 2025, he held postdoctoral and research scientist positions at EPFL and the Paul Scherrer Institute in Switzerland, under the mentorship of Laura Grigori. In July 2025, he joined TU Munich, where he leads his own DFG Emmy Noether Junior Research Group.
Dr. Hassan's research is at the intersection of numerical analysis, computational physics, and scientific computing. Of particular interest is the development and mathematical analysis of numerical methods for electronic structure models. Such models describe the behaviour of electrons in molecules and bulk materials using the fundamental laws of quantum mechanics. Dr. Hassan's research includes the a priori and a posteriori error analysis of existing state-of-the-art electronic structure methods as well as the development of new methods based on insights gained from the numerical analysis.
Key Publications (all publications)
Cancès, E., Hassan, M., & Vidal, L. (2024).
“Modified-operator method for the calculation of band diagrams of crystalline materials.”
Mathematics of Computation , 93 (347), 1203-1245
Claeys, X., Hassan, M., & Stamm, B. (2024).
“Continuity estimates for Riesz potentials on polygonal boundaries.”
Partial Differential Equations and Applications, 5(3), 11.
Hassan, M., Maday, Y., & Wang, Y. (2023).
“Analysis of the single reference coupled cluster method for electronic structure calculations: the full-coupled cluster equations“.
Numerische Mathematik , 155 (1), 121-173.
Feniou, C., Hassan, M., Traoré, D., Giner, E., Maday, Y., & Piquemal, JP (2023).
“Overlap-ADAPT-VQE: practical quantum chemistry on quantum computers via overlap-guided compact Ansätze.”
Communications Physics , 6 (1), 192.
Hassan, M., & Stamm, B. (2021).
“An integral equation formulation of the N-body dielectric spheres problem. Part I: Numerical analysis.”
ESAIM: Mathematical Modelling and Numerical Analysis, 55, S65-S102.
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