Last week, from Wednesday to Friday, I paid the Technical University of Munich (TUM) a short visit for two great opportunities to present my work: Once in the theoretical chemistry group of Professor Wolfgang Domcke and once at the annual meeting of the modeling, analysis and simulation of molecular systems …

read more# Modern software-development techniques in electronic structure theory

A few weeks ago, on 23rd May I received an invitation to visit the Laboratoire de Physique des Lasers, Atomes et Molécules at the Université de Lille and present about my recent work. When it came to selecting a topic, me and my host, Andre Gomes, quickly agreed to focus …

read more# Coulomb Sturmian basis functions in electronic structure theory

Earlier this month, on 3rd of May, I was invited for a day to the Laboratoire de Physique et Chimie Théoriques of the Université de Lorraine in Metz. Unlike my earlier stay in Metz stay, during the MES conference, last August, I did not manage to enjoy this beautiful city …

read more# Julia lightning talk

Yesterday I gave a short lightning talk at the Inria Devmeetup about Julia. My intention was to show a few of the design aspects of this rather recent programming language and motivated from my experiences in my current PostDoc project at the MATHERIALS team hint at interesting ongoing developments. For …

read more# Coulomb Sturmian basis functions in electronic structure theory

After my first Coulomb Sturmian-related talk at the LCT last November, I was approached by Julien Toulouse and asked whether I could give another talk providing a little more insight into Coulomb Sturmians and their potential.

A few weeks ago, on 29th March, it was thus about time for a …

read more# Design of the molsturm quantum-chemistry framework

A few weeks ago, on 23rd November, I was invited to speak at the mathematics and chemistry seminar (GdT mathématiques et chimie) at Sorbonne Université in Paris. This seminar is a joint meeting of theoretical chemists and mathematicians from the LJLL (Laboratoire Jacques-Louis Lions) and the LCT (Laboratoire de Chimie …

read more# Simulating chemistry: Enabling novel approaches for modelling the electronic structure of molecules

Last week Wednesday I was invited to present my research in front of a bunch of young researchers from the Heidelberg Laureate Forum visiting our institute. Whilst I would have loved to attend the full week of the forum, I am happy that in this way I was able to …

read more# Franco-German Workshop 2018: Open problems related to the algebraic-diagrammatic construction scheme

In some of my recent projects, e.g. the PE-ADC paper, I got a little more into method development surrounding the algebraic-diagrammatic construction scheme (ADC). Even though quite a few people from the Dreuw group in Heidelberg are involved with ADC development and we have regular talks on ADC, I …

read more# MRMCD18: Pitfalls for performance: Latencies to keep in mind

This weekend I attended the MRMCD18 in Darmstadt, which is one of the many chaos events where a few hundred people interested in computer science, hacking, making, politics and society gather for a weekend of talks, coding and discussion. Having participated in this event regularly in the past few years …

read more# MES 2018 in Metz: molsturm Towards quantum-chemical method development for arbitrary basis functions

Currently I am attending the Molecular Electronic Structure 2018 conference in Metz, an electronic-structure theory conference intended for researchers working on novel methodologies, such as explicit correlation, density matrix theory, stochastic approaches or on discretisation techniques going beyond Gaussian-type orbitals.

Especially the latter aspect fits well to the kind of …

read more# Aachen: Beyond Gaussian-type orbitals

From Monday till Wednesday this week I was invited to the computational mathematics research group of Prof. Dr. Benjamin Stamm at the RWTH Aachen University. In retrospect I am very thankful for the invitation, since the three days turned out to be filled with fruitful discussions, scientific exchange and brainstorming …

read more# Oberwolfach workshop: Mathematical Methods in Quantum Chemistry

Last week I was invited to the Mathematical Research Institute Oberwolfach (Mathematisches Forschungsinstitut Oberwolfach) for a workshop about Mathematical Methods in Quantum Chemistry. I am really grateful to the organisers Eric Cancès, Gero Friesecke, Trygve Helgaker and Lin Lin for asking me to join this meeting as it turned out …

read more# Annual Colloquium 2017: Introduction to Bohrium

Last Thursday the PhDs of my graduate school gathered again for our self-organised mini conference, named Annual Colloquium. Having organised this event myself as well a couple of years back, I had rather mixed feelings this time, since I most likely not be around in Heidelberg for another AC.

For …

read more# Lazy matrices talk from the IWR school 2017

As mentioned in a previous post on this matter last month, from 2nd to 6th October, the IWR hosted the school Mathematical Methods for Quantum Chemistry, which I co-organised together with my supervisors Andreas Dreuw and Guido Kanschat as well as the head of my graduate school Michael Winckler.

From …

read more# Coulomb-Sturmians and molsturm

Yesterday I gave a talk at our annual group retreat at the Darmstädter Haus in Hirschegg, Kleinwalsertal. For this talk I expanded the slides from my lazy matrix talk in Kiel, incorporating a few of the more recent Coulomb-Sturmian results I obtained.

Most importantly I added a few slides to …

read more# [c¼h] Parallelised numerics in Python: An introduction to Bohrium

Thursday a week ago I gave a brief introductory talk in our Heidelberg Chaostreff about the Bohrium project. Especially after the HPC day at the Niels Bohr Institute during my recent visit to Copenhagen, I became rather enthusiastic about Bohrium and wanted to pass on some of my experiences.

The …

read more# Lazy matrices in quantum chemistry

On my way back from Copenhagen last Thursday I stopped in Kiel to visit Henrik Larsson and some other people from last year's Deutsche Schülerakademie in Grovesmühle.

Henrik is doing his PhD at the group of Prof. Bernd Hartke and so I took the opportunity and gave a short talk …

read more# HPC day at Niels Bohr Institute

# The design of molsturm

Yesterday I was invited to the give a talk at the group seminar of Prof. Thomas Kühne at the University of Paderborn. I was really happy about this invitation, since this gave me a great opportunity to talk about the recent direction my PhD has taken.

Motivated from the problems …

read more# [c¼h] Testen mit Rapidcheck und Catch

Last Thursday, I gave another short talk at the Heidelberg Chaostreff NoName e.V. This time I talked about writing tests in

`C++`

using the testing libraries rapidcheck and Catch.In the talk I presented some ideas how to incorporate

read more*property-based testing*into test suites for`C++`

programs. The idea …# [c¼h] Einführung in die Elektronenstrukturtheorie

The week before my bash scripting course I gave another short talk for the weekly meeting of the Heidelberg Chaostreff NoName e.V. Unlike last time the talk was not concerned with a traditional "Hacker" topic, but much rather I tried to give a brief introduction into my own research …

read more# A short return to Cambridge

About two weeks ago, on Friday the 13th of March, I was invited back to the Chemistry Department at the University of Cambridge. As part of their Theoretical Chemistry Informal Seminar talk series I was asked to give a short talk (Abstract) about my current research. Needless to say that …

read more# [c¼h] Härtere Crypto für unsere Services

Last Thursday I gave a talk (in German) in our local Chaostreff in Heidelberg — the NoName e.V. The main topic was to introduce the various cryptographic algorithms used in modern cryptography and to give practical advice how to improve the default configuration even further. The talk mainly focuses on …

read more# Annual Colloquium 2014

Last Monday and Tuesday this year's most important event of the HGS Mathcomp (my graduate school) took place — the Annual Colloquium. Being part of the organising committee we stepped into the footsteps of the previous ACs and planned it as a short two-day conference with graduate students presenting their project …

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