About Me

I'm a tenure-track scientist at the Laboratory for Simulation and Modelling (LSM) at the Paul Scherrer Insitute (PSI). Before taking up this position at PSI, I was a post-doctoral researcher at the Chair of high performance numerical algorithms and simulations (HPNALGS) at EPFL under the supervision of Laura Grigori. Prior to moving to EPFL, I was a post-doctoral researcher at the Laboratoire Jacques-Louis Lions under the supervision of Yvon Maday. Along with several of Yvon's students and collaborators, I worked on the Extreme-scale Mathematically-based Computational Chemistry ERC Synergy project. Before taking up my post-doctoral position at the LJLL, I studied at RWTH Aachen and ETH Zürich. I wrote my Phd Dissertation under Benjamin Stamm, and before that my MS thesis under Sid Mishra.



Research Interests

The main part of my research involves the numerical analysis of state-of-the-art wave-function methods that are used to solve the electronic Schrödinger equation. My post-doc at EPFL involved the analysis of the DMRG algorithm for computing the ground states of strongly correlated molecules while my post-doc at the LJLL focused on the analysis of coupled cluster methods for computing the ground states of dynamically correlated molecules.

In a joint project with Eric Cancès and some colleagues at CERMICS (Ecole des Ponts), I also work on band structure calculations of crystalline materials. Additionally, together with Jean-Philip Piquemal and my former colleagues at the Laboratoire de Chimie Théorique (Sorbonne Université), I work on adaptive variational quantum eigensolvers.

During my Phd, I mostly worked on the mathematical analysis of boundary integral equations and domain decomposition methods with applications in polarisable electrostatics.

A list of my research publications including preprints can be found here.




News and Updates

January 2025
I've had the good fortune to win an Emmy Noether grant of the Deutsche Forschungsgemeinschaft (DFG). The grant has been awarded in support of a project I proposed titled "Numerical Analysis of Electronic Structure Methods for Molecules and Materials". The project abstract can be found on the DFG webpage here.

May 2024
I was a lecturer at the 6th edition of the GDR NBODY Mini-school on mathematics for theoretical chemistry and physics. The school took place from the 28th to 31st of May 2024 at the Laboratoire Jacques-Louis Lions at Sorbonne Université Paris. More information can be found here.

March 2024
I had the pleasure of hosting a workshop on electronic structure theory for solids in March 2024. More information can be found here.


Muhammad Hassan

Tenure-Track Scientist
Laboratory for Simulation and Modelling
Paul Scherrer Institute (PSI)

Office: OHSA/D06
Phone: +41 76 366 89 21
Email: muhammad.hassan(AT)psi.ch


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