1. Talk at MATH4UQ seminar series at RWTH

    On 1st June I was invited to the MATH4UQ seminar series of the Mathematics of Uncertainty Quantification chair of Prof. Raul Tempone at RWTH Aachen University.

    Over the past months I got more and more interested in mathematical methods for uncertainty quantification (UQ) as an opportunity to estimate and understand …

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  2. SIAM LA: Robust and efficient accelerated methods for density-functional theory

    Just one day after my talk at the SIAM Materials Science conference (blog article) I gave another talk at a SIAM meeting, this time at SIAM Linear Algebra. I was very much looking forward to participate in SIAM LA, firstly because it was the first time I attended this conference …

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  3. SIAM MS: Using the density-functional toolkit to design black-box DFT methods

    After being moved by one year due to the pandemic, the last two weeks (from 17th to 28th May) the SIAM materials science conference finally took place in virtual form. Unfortunately this meant that the conference was scheduled in parallel to the SIAM Linear Algebra virtual conference, where I also …

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  4. Thoughts on initial guess methods for DFT

    On Thursday I gave a brief talk in our weekly ACED differentiate group meeting about initial guess methods for starting self-consistent field calculations in methods such as density-functional theory. For preparing the talk I did a little digging into both the standard approaches used by many molecular and solid-state codes …

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  5. A novel black-box preconditioning strategy for high-throughput density-functional theory

    A couple of weeks ago, from 15th to 19th March, I participated in the virtual annual meeting of the German Association of Applied Mathematics and Mechanics (GAMM). For me this meeting was the first time I presented my work to an audience of applied mathematicians with a broad background and …

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  6. PostDoc position at Appl. & Comput. Mathematics lab, RWTH Aachen University

    This week I started my new position as a postdocotoral researcher at the Applied and Computational Mathematics (ACoM) research lab at RWTH Aachen University. The lab consists of two interdisciplinary research groups, namely the group of Prof. Dr. Manuel Torrilhon, who works on the mathematical modelling and simulation of technical …

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  7. CESMIX TST meeting: DFTK.jl: A multidisciplinary Julia code for density-functional theory development

    These past two days I have participated in the Tri-Lab Support Team (TST) meeting of the CESMIX, the newly founded Center for the Exascale Simulation of Material Interfaces in Extreme Environments at the Massachusetts Institute of Technology. Within the next few years the idea of the CESMIX is to develop …

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  8. High-throughput density-functional theory calculations: An interdisciplinary challenge

    Last Thursday I was invited to give a virtual talk at the Scientific Computing Seminar of working group of Prof. Nicolas Gauger at TU Kaiserslautern. Since the research in Prof. Gauger's group mostly concerns topics which are not directly related to electronic structure theory and density-functional theory (DFT), I chose …

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  9. PostDoc position at CERMICS / Sorbonne Université

    Last week I started my new position as a postdoctoral fellow at the MATHERIALS team of the Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique (CERMICS) laboratory and Inria Paris with an additional affiliation to the Institut des Sciences du Calcul et des Données at Sorbonne Université. As …

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