Curriculum Vitae

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 Jan 2019 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.

Workshop and conference talks

date
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.
18.05.2020 Using the density-functional toolkit (DFTK) for controlling numerical error in Kohn-Sham calculations, SIAM Materials Science, Bilbao. (conference cancelled)
18.03.2020 Elevated-precision techniques and guaranteed error bounds in Kohn-Sham calculations, GAMM Jahrestagung 2019, Kassel. (conference cancelled)
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.
13.09.2019 DFTK: The density-functional toolkit, GAMM moansi meeting 2019, Munich. Blog article.
26.09.2018 Simulating chemistry: Enabling novel approaches for modelling the electronic structure of molecules, Heidelberg Laureate Forum 2018, Heidelberg. Blog article.
11.09.2018 Challenges and open problems related to the algebraic diagrammatic construction scheme, Franco-German Workshop 2018, Aachen. Blog article.
08.09.2018 Pitfalls for performance: Latencies to keep in mind, MRMCD2018, Darmstadt. Blog article.
28.08.2018 molsturm: Towards quantum-chemical method development for arbitrary basis functions, MES 2018, Metz. Blog article.
23.03.2018 molsturm: Modular electronic structure theory framework, Mathematical methods for quantum chemistry, Mathematisches Forschungsinstitut Oberwolfach. Blog article.
04.10.2017 Lazy matrices for contraction-based algorithms, Mathematical methods for quantum chemistry, Universität Heidelberg. Blog article.
19.05.2017 Lazy matrices for apply-based algorithms, High-performance computing day, Køpenhavns Universitet. Blog article.

Invited seminar talks

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21.11.2019 Interdisciplinary software for electronic structure theory: adcc and DFTK, Laboratoire de Chimie et Physique Quantiques, Université Paul Sabatier Toulouse. Blog article
11.09.2019 Interdisciplinary software for electronic structure theory: adcc and DFTK, AK Domcke group seminar, Technical University Munich. Blog article.
23.05.2019 Modern software-development techniques in electronic structure theory, Laboratoire de Physique des Lasers, Atomes et Molécules, Université de Lille. Blog article.
03.05.2019 Coulomb Sturmian basis functions in electronic structure theory, Laboratoire de Physique et Chimie Théoriques, Université de Lorraine. Blog article.
30.11.2018 Design of the molsturm quantum-chemistry framework, GdT Mathématiques et chimie, Sorbonne Université. Blog article.
29.05.2018 State of the basis in electronic structure theory, MathCCES lunch seminars, RWTH Aachen University. Blog article.
09.12.2016 The design of the molsturm package, AK Kühne group seminar, Universtität Paderborn. Blog article.
13.03.2015 Solving the Hartree-Fock equations using the finite element method, Theoretical chemistry informal seminars, University of Cambridge. Blog article.

Scientific community

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Oct 2017 Organising committee IWR school Mathematical methods for quantum chemistry. Blog article.

Research visits

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Feb 2019 Prof. Andreas Dreuw and Dr. Dirk Rehn, IWR, Heidelberg, 1 week.
May 2018 Prof. Benjamin Stamm, RWTH Aachen University, 3 days. Blog article.
May 2018 Dr. James Avery, Niels-Bohr Institutet, Køpenhavns Universitet, 3 days.
May 2018 Prof. Jacob Kongsted, Syddansk Universitet Odense, 1 week.
May 2017 Dr. James Avery and Prof. Brian Vinter, Niels-Bohr Institutet, Køpenhavns Universitet, 6 weeks. Blog article.
Dec 2016 Dr. Dirk Rehn and Dr. Jaime Rosal, Kungliga Tekniska högskolan, Stockholm, 3 days.
Nov 2016 Dr. James Avery, Datalogisk Institutet, Køpenhavns Universitet, 1 week.
Nov 2015 Dr. James Avery, Niels-Bohr Institutet, Køpenhavns Universitet, 3 weeks.

Teaching

This is just a selection of my teaching activities. The full list is given under Teaching.

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Jul 2020 Guest lecture at RWTH Aachen Introduction to plane-wave DFT and DFTK. Teaching page.
Dec 2019 One-day course about the Julia programming language. Teaching page.
Jul 2018 20-day course about quantum chemistry at Deutsche SchülerAkademie. Teaching page.
Nov 2017 Week-long block course Advanced bash scripting. Teaching page.
Aug 2016 3 days block course Introduction to awk programming. Teaching page.
Jul 2016 20-day course about quantum chemistry at Deutsche SchülerAkademie. Teaching page.
Aug 2015 Week-long block course Advanced bash scripting. Teaching page.

Scholarships and Awards

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Nov 2018 DAAD travel funding for the molsturm talk in Paris
Jun 2018 – Dec 2018 HGS MathComp PostDoc fellowship
Jan 2014 – Dec 2016 HGS MathComp doctoral scholarship
Oct 2009 – Jun 2013 Cambridge European Trust