readinggroup.md

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Electronic Structure Reading Group

The electronic structure reading group brings together researchers and students interested in mathematical aspects of electronic structure problems and adjacent topics.

Organizers:

• Michael Herbst {{ protect_email michael.herbst@epfl.ch }}
• Noé Blassel {{ protect_email noe.blassel@epfl.ch }}

For updates, join the matrix chat room at #electronic-structure:epfl.ch (requires a GASPAR account).

Upcoming events:

• 19.05.26 16:00 (MA B1 504) Vebjørn Bakkestuen, Kohn-Sham inversion (TBA)
• 15.06.26 16:00 (MA B1 524) Niklas Schmitz, Learning the exchange-correlation functional (TBA)

Past events:

• 05.05.26 16:00 (MA B1 524) Bruno Ploumhans Density Functional Perturbation Theory Treatment of Monochromatic and Electric Field Perturbations Memento Link
• 24.11.25 16:00 (MA B1 524) Edrick Solís González Car-Parrinello molecular dynamics Memento Link
• 16.09.25 16:15 (CM 1 517) Andre Laestadius (OsloMet) Smoothing the Landscape: Moreau-Yosida Regularization in Modern Density‑Functional Theory Memento Link
• 23.07.25 16:00 (MA B1 524) Michelangelo Domina Clebsch-Gordan Coefficients: Making Sense of Rotations in ML and Beyond Memento Link
• 16.07.25 16:00 (MA B1 524) Pol Febrer Non-equilibrium Green's functions for electronic structure Memento Link
• 11.06.25 16:00 (MXG 312) Teitur Hansen (DTU) Uncertainty-aware functional distributions Memento Link
• 21.05.25 16:00 (MA B2 486) Marcel Langer Computing thermal conductivity with the Green-Kubo method and neural networks Memento Link
• 13.05.25 16:00 (MA B1 524) Davide Tisi Green-Kubo Method for Computing Transport Coefficients: Heat Transport from Classical to Ab Initio Molecular Dynamics Memento Link
• 28.04.25 16:00 (MA B2 485) Matteo Quinzi Pseudopotentials Memento Link
• 15.04.25 16:15 (CM 1 517) Feliks Nüske (MPI Magdeburg) Learning Metastable Dynamics: Application to Molecular Dynamics Memento Link
• 01.04.25 16:00 (MA B1 524) Thomas Swinburne (CNRS) Quantifying and propagating model-form uncertainty via misspecification-aware Bayesian regression Memento Link
• 17.03.25 16:00 (MA B1 524) Simone Cigagna Electronic Structure Reading Group: Connecting DFT with Green's function methods through the effective action formalism. Memento Link
• 24.02.25 16:00 (BCH 3113) Michael Herbst Moreau-Yosida regularisation meets DFTK: How to do Kohn-Sham forward and inverse. Memento Link
• 03.02.25 16:00 (MA B1 524) Anna Paulish Gaussian Process Regression for Materials and Molecules. Memento Link
• 11.11.24 16:00 (BCH 3113): Muhammad Hassan Analysis of Coupled Cluster Methods. Mememento Link
• 28.10.24 16:00 (MA B2 485): Kevin Huguenin-Dumittan Renormalization Group and Phase Transitions. Memento Link
• 14.10.24 16:00 (MA B2 485): Bruno Ploumhans Practical Error Bounds for Properties in Plane-wave Electronic Structure Calculations. Memento Link
• 30.09.24 16:00 (BCH 3113): Marcel Langer Information causality and quantum mechanics. Memento Link
• 24.06.24 16:00 (BCH 3113): Matteo Quinzi Green's functions in quantum many-body theory and quasiparticle equations. Memento Link
• 10.06.24 16:00 (MA B2 485): Katharine Fisher (MIT) Multitask Surrogate Models for Heterogeneous Electronic Structures Data. Memento Link
• 27.05.24 16:00 (MA B2 485): Edrick Solís González The Orbital Transformation Method. Memento Link
• 29.04.24 16:00 (BCH 3113): Yuejia Zhang The Density Matrix Renormalization Group in Quantum Chemistry. Memento Link
• 08.04.24 15:30 (BCH 3113): Johan Felisaz The Bistritzer-Macdonald Model for Twisted Bilayer Graphene.
• 06.03.24 15:30 (MA B1 504): Paolo Pegolo From the modern theory of polarization to the simulation of charge transport in ionic systems.
• 04.03.24 15:30 (BCH 3113): Niklas Schmitz An overview of a posteriori error estimation and post-processing methods for nonlinear eigenvalue problems.
• 12.02.24 15:30 (BCH 3113): Taylor Baird Holonomy, the Quantum Adiabatic Theorem, and Berry's Phase.
• 29.01.24 15:30 (BCH 3113): Muhammad Hassan Grassmann Extrapolation of Density Matrices for Born–Oppenheimer Molecular Dynamics. (Part 2)
• 15.01.24 15:30 (BCH 3113): Muhammad Hassan Grassmann Extrapolation of Density Matrices for Born–Oppenheimer Molecular Dynamics. (Part 1)