Curriculum Vitae
Last update: May 2023
Education
| date | |
|---|---|
| 2018 | Dr. rer. nat. (magna cum laude), Universität Heidelberg. |
| 2009 – 2013 | Natural Sciences, BA (Hons) and MSci (1st class), University of Cambridge (Girton College). |
| 2009 | Abitur at Leininger Gymnasium Grünstadt. |
| 2008 – 2009 | 3 semesters of mathematics and physics at Technische Universität Kaiserslautern. |
Research experience
The topics of my research are described in more details under Research. See also my list of publications.
| date | |
|---|---|
| from Mar 2023 | Tenure Track Assistant Professor of Mathematics and of Materials Science and Engineering, EPF Lausanne |
| Aug 2022 – Feb 2023 | Independent postdoctoral researcher at Applied and Computational Mathematics (ACoM) lab, RWTH Aachen University |
| Mar 2021 – Jul 2022 | Postdoctoral researcher with Prof. Benjamin Stamm, ACoM lab, RWTH Aachen University |
| Jan 2019 – Feb 2021 | Postdoctoral fellow at the MATHERIALS team of the CERMICS lab, ENPC, and Inria Paris as well as the ISCD, Sorbonne Université |
| Jun 2018 – Dec 2018 | HGS MathComp postdoctoral researcher, Universität Heidelberg |
| Jan 2014 – May 2018 | Doctoral student with Prof. Andreas Dreuw, Universität Heidelberg. PhD thesis. |
| Oct 2012 – April 2013 | 6-months research project with Prof. Stuart Althorpe, University of Cambridge, leading to a MSci degree. Master thesis. |
National and international research projects
List of larger ongoing national and international research projects, in which I participate.
| date | Project Role |
|---|---|
| since 2023 | MARVEL centre on Computational Design and Discovery of Novel Materials, EPFL, Switzerland Core member |
| since 2021 | Center for the Exascale Simulation of Material Interfaces in Extreme Environments (CESMIX), Massachusetts Institute of Technology, USA Core member |
| since 2019 | Extreme-scale Mathematically-based Computational Chemistry (EMC2), Sorbonne Université / Inria Paris / École des Ponts, France Core member |
Organisation of scientific events
| date | |
|---|---|
| Sep 2022 | Organiser DFTK workshop: Mathematics and numerics of density-functional theory at MIT |
| Aug 2022 | Co-organiser DFTK school: Numerical methods for density-functional-theory simulations. |
| Jul 2022 | Program co-chair of JuliaCon 2022. |
| Jun 2022 | Co-organiser CECAM flagship workshop Error control in first-principles modelling. Blog article |
| Apr 2022 | Co-organiser Minisymposium Uncertainty Quantification in Molecular Modeling at SIAM-UQ |
| Jul 2021 | Co-organiser Birds of Feather discussion session Building a Chemistry and Materials Science Ecosystem in Julia at Juliacon 2021. Blog article |
| Oct 2017 | Co-organiser IWR school Mathematical methods for quantum chemistry. Blog article. |
Services for the scientific community
| date | |
|---|---|
| since Dec 2022 | GAMM MoAnSi activity group junior representative |
Recent workshop and conference talks
This section gives a summary of my recent contributed and invited conference talks, see also the full list of my talks.
| date | |
|---|---|
| 10.12.2021 | DFTK: An Algorithmically Differentiable Density Functional Theory Framework, GDR REST discussion meeting on machine learning. Blog article |
| 13.09.2021 | A guaranteed and efficient line search for self-consistent field iterations, YoungCAS meeting on Global SCF Optimization, Centre for Advanced Study, Oslo. |
| 22.07.2021 | A mathematical look at electronic structure theory, Juliacon 2021. Blog article |
| 20.07.2021 | Towards error-controlled, black-box density-functional theory methods, Virtual Materials Design 2021 CECAM workshop. Blog article |
| 20.05.2021 | Robust and efficient accelerated methods for density-functional theory, SIAM Linear Algebra. Blog article |
| 19.05.2021 | Using the density-functional toolkit (DFTK) to design black-box DFT methods, SIAM Materials Science. Blog article |
| 17.03.2021 | A novel black-box preconditioning strategy for high-throughput density-functional theory, GAMM annual meeting 2021. Blog article. |
| 03.02.2021 | DFTK.jl: A multidisciplinary Julia code for density-functional theory development, CESMIX centre, MIT. Blog article. |
| 24.09.2020 | Black-box inhomogeneous preconditioning for density-functional theory, GAMM moansi meeting 2020. Blog article. |
| 03.09.2020 | A posteriori error estimation for the non-self-consistent Kohn-Sham equations, Faraday Discussions. Blog article. |
| 29.07.2020 | DFTK: A Julian approach for simulating electrons in solids, JuliaCon 2020. Blog article. |
| 09.01.2020 | Using the density-functional toolkit (DFTK) to investigate floating-point error and improve SCF convergence in density-functional theory, 1st GDR NBODY meeting, Lille. Blog article. |
Recent invited seminar talks
This section gives a summary of my recent invited seminar talks, see also the full list of my talks.
| date | |
|---|---|
| 10.06.2022 | Black-box algorithms and robust error control for DFT, Joly Aarons group seminar, Nankai University. Slides |
| 26.04.2022 | Black-box algorithms and robust error control for density-functional theory, Mathematics and Materials Seminar, EPFL Lausanne. Slides |
| 07.10.2021 | Automatic differentiation efforts in DFTK, ACED differentiate seminar. Slides |
| 12.07.2021 | Accelerating the discovery of tomorrow's materials by robust and error-controlled electronic-structure simulations, SSD Seminar Series, RWTH Aachen. Blog article. |
| 29.06.2021 | Reliable black-box self-consistent field schemes for high-throughput DFT calculations, Quantum many-body methods seminar, RWTH Aachen. Blog article. |
| 08.06.2021 | Errors and uncertainty quantification in electronic-structure theory, Youssef Marzouk group seminar, MIT. Blog article. |
| 01.06.2021 | Errors in electronic-structure theory: Status and directions for future research, MATH4UQ Seminar, RWTH Aachen University. Blog article. |
| 06.05.2021 | An introductory hour to the Julia programming language, Infomath Seminar, Sorbonne Université and CNRS. Blog article. |
| 05.05.2021 | High-throughput electronic-structure simulations: Where reliability really matters, AG Lüchow group seminar, RWTH Aachen. Blog article. |
| 17.12.2020 | High-throughput density-functional theory: An interdisciplinary challenge, Scientific Computing Seminar, AG Nicolas Gauger, TU Kaiserslautern. Blog article. |
| 21.10.2020 | Challenges and prospects of a posteriori error estimation in density-functional theory, AG Christoph Jacob, Universtität Braunschweig. Blog article. |
Teaching
Selected previous teaching, see Teaching for the full list.
| date | |
|---|---|
| SS 2022 | Lecture: Mathematical aspects of computational chemistry. Teaching page. |
| Feb 2022 | RWTH Julia workshop: An introduction to the Julia programming language (90 participants). Teaching page. |
| Jul 2018 | 20-day course about quantum chemistry at Deutsche SchülerAkademie. Teaching page. |
| Jul 2016 | 20-day course about quantum chemistry at Deutsche SchülerAkademie. Teaching page. |
Funding and Awards
| date | |
|---|---|
| Aug 2022 | CECAM MOSER workshop funding, GDR rest workshop funding and Inria workshop funding for our DFTK school 2022 (6 k€) |
| Jun 2022 | Psi-k workshop funding and CECAM flagship workshop funding for our CECAM workshop Error control in first-principles modelling (17 k€) |
| Jan 2022 – | Exploratory Research Space Fund, RWTH Aachen University A differentiable multi-fidelity surrogate framework for predicting material properties and their sensitivities (44 k€) |
| Nov 2018 | DAAD travel funding for the molsturm talk in Paris |
| Jun 2018 – Dec 2018 | HGS MathComp PostDoc fellowship (39 k€) |
| Jan 2014 – Dec 2016 | HGS MathComp doctoral scholarship (54 k€) |
| Oct 2009 – Jun 2013 | Cambridge European Trust (8.2 k€) |