List of talks and posters

This page just contains a list of my talks and posters. For my papers see my list of publications.

Overview

Plane-wave-based density-functional theory

Most of my work on plane-wave DFT concerns the DFTK Julia code which I co-develop with Antoine Levitt and Eric Cancès from the Matherials team at Inria Paris.

Date Link
14.10.2020 Challenges and prospects of a posteriori error estimation in density-functional theory (Talk at AG Christoph Jacob group seminar, TU Braunschweig)
24.09.2020 Black-box inhomogeneous preconditioning for density-functional theory (Talk at GAMM Moansi Workshop 2020)
03.09.2020 A posteriori error estimation for the non-self-consistent Kohn-Sham equations (Talk at Faraday Discussions New horizons in density functional theory)
29.07.2020 DFTK: A Julian approach for simulating electrons in solids (Talk at JuliaCon 2020, recording)
25.06.2020 SCF preconditioning for mixed systems: A DFTK case study (Talk at EMC2 seminar, Sorbonne Univertsité)
09.01.2020 Using the density-functional toolkit (DFTK) to investigate floating-point error and improve SCF convergence in density-functional theory (Talk at 1st GDR NBODY meeting, Lille)
21.11.2019 Interdisciplinary software for electronic structure theory: adcc and DFTK (Talk at Laboratoire de Chimie et Physique Quantiques, Université Paul Sabatier, Toulouse)
07.11.2019 Mathematical quantum chemistry ... and how to apply it in a periodic setting (Talk at Young Researchers Seminar, CERMICS, École des Ponts ParisTech)
17.10.2019 Electronic-structure simulations using Julia (Talk at 1st Julia Paris Meetup)
13.09.2019 DFTK: The density-functional toolkit (Talk at GAMM moansi meeting 2019, Munich)
11.09.2019 Interdisciplinary software for electronic structure theory: adcc and DFTK (Talk at Domcke group, Technical University Munich)
01.07.2019 Modern interdisciplinary software-development in electronic structure theory (Poster at 9th MQM)
23.05.2019 Modern software-development techniques in electronic structure theory (Talk at Laboratoire de Physique des Lasers, Atomes et Molécules, Université de Lille)

Algebraic-diagrammatic construction methods (ADC)

Part of my involvement with ADC methods is the development of the adcc python module, in close collaboration with the group of Andreas Dreuw in Heidelberg.

Date Link
21.11.2019 Interdisciplinary software for electronic structure theory: adcc and DFTK (Talk at Laboratoire de Chimie et Physique Quantiques, Université Paul Sabatier, Toulouse)
11.09.2019 Interdisciplinary software for electronic structure theory: adcc and DFTK (Talk at Domcke group, Technical University Munich)
01.07.2019 Modern interdisciplinary software-development in electronic structure theory (Poster at 9th MQM)
11.09.2018 Challenges and open problems related to the algebraic diagrammatic construction scheme (Talk at Franco-German Workshop 2018)

Coulomb Sturmians in electronic structure theory

Date Link
03.05.2019 Coulomb Sturmian basis functions in electronic structure theory (Talk at Laboratoire de Physique et Chimie Théoriques, Université de Lorraine, Metz)
29.03.2019 Coulomb Sturmian basis functions in electronic structure theory (Talk at Toulouse group, Sorbonne Université
26.09.2018 Simulating chemistry: Enabling novel approaches for modelling the electronic structure of molecules
(Talk at 6th Heidelberg Laureate Forum 2018)
19.06.2018 Coulomb-Sturmians in electronic structure theory: A first look at investigating convergence properties (Poster at 16th ICQC 2018)
29.05.2018 State of the basis in electronic structure theory
(Talk at MathCCES lunch seminars, RWTH Aachen)
18.09.2017 Coulomb-Sturmians and molsturm
(Talk at Kleinwalsertal 2017)

Lazy matrices and molsturm

Some slides and posters introducing the molsturm and lazyten projects and how they can be used to yield a modular and flexible quantum-chemistry framework supporting rapid development of new methods.

Note, that in the first few presentations, I use the inital name linalgwrap to refer to the lazy matrix library lazyten.

Date Link
01.07.2019 Modern interdisciplinary software-development in electronic structure theory (Poster at 9th MQM)
23.05.2019 Modern software-development techniques in electronic structure theory (Talk at Laboratoire de Physique des Lasers, Atomes et Molécules, Université de Lille)
08.09.2018 Pitfalls for performance: Latencies to keep in mind (Talk at MRMCD18)
28.08.2018 Towards quantum-chemical method development for arbitrary basis functions (Talk at MES 2018)
23.03.2018 molsturm: Modular electronic structure theory framework (Talk at Oberwolfach workshop 1812)
04.10.2017 Lazy matrices for contraction-based algorithms
(Talk at IWR School 2017)
18.09.2017 Coulomb-Sturmians and molsturm
(Talk at Kleinwalsertal 2017)
15.06.2017 Lazy matrices in quantum chemistry
(Talk at AG Bernd Hartke group seminar, Kiel)
19.05.2017 Lazy matrices for apply-based algorithms
(Talk at eScience HPC day, NBI Kopenhagen)
09.12.2016 The design of the molsturm package
(Talk at AG Thomas Kühne group seminar, Paderborn)
04.10.2016 Linalgwrap: The lazy linear algebra library
(Poster at MWM Summer School 2016)

Finite-element-based electronic structure theory

Date Link
29.05.2018 State of the basis in electronic structure theory
(Talk at MathCCES lunch seminars, RWTH Aachen)
22.05.2018 Development of a modular quantum-chemistry framework for the investigation of novel basis functions (PhD thesis, Heidelberg University)
22.09.2015 New approaches towards a finite-element based Hartree-Fock method (Poster P42 at STC 2015)
13.03.2015 Solving the Hartree-Fock equations using the finite element method (Talk at University of Cambridge)
15.09.2014 New approaches towards a finite-element based Hartree-Fock method (Poster P73 at STC 2014)
14.08.2014 The finite-element method in quantum chemistry
(Talk at the Dreuw group seminar)

Tunnelling in water clusters

Date Link
20.02.2014 Instanton calculations of tunnelling in water clusters (Talk at the Dreuw group seminar)

Cryptoparties and cryptography

Date Link
17.06.2015 E-Mail Verschlüsselung (Cryptoparty Heidelberg)
29.01.2015 Härtere Crypto für unsere Services
(Talk at NoName e.V.)
24.11.2014 Everyday cryptography
(Talk at HGS annual colloquium)

The slides provided in the ultimate row have been used a couple of times for the Heidelberg cryptoparties. The TeX source code as well as most other material we use for our cryptoparties can be found on github.

Software development best practices

Date Link
19.01.2017 Property-based testing for numerical software
(Talk at IWR Seminar on Scientific Computing)
10.03.2016 Testen mit Rapidcheck und Catch
(Talk at NoName e.V.)