List of publications

Michael F. Herbst, Maximilian Scheurer, Thomas Fransson, Dirk R. Rehn and Andreas Dreuw.
adcc: A versatile toolkit for rapid development of algebraic-diagrammatic construction methods.
Published in WIREs Computational Molecular Science, ?, ? (2020).
[DOI 10.1002/wcms.1462] [preprint] [hal-02319517] [arXiv:1910.07757] [code] [further details]
Michael F. Herbst, James E. Avery and Andreas Dreuw.
Quantum chemistry with Coulomb Sturmians: Construction and convergence of Coulomb Sturmian basis sets at Hartree-Fock level.
Published in Physical Review A, 99, 012512 (2019).
[DOI 10.1103/PhysRevA.99.012512] [pdf] [arXiv:1811.05777] [further details]
Maximilian Scheurer, Michael F. Herbst, Peter Reinholdt, J├│gvan Magnus Olsen, Andreas Dreuw and Jacob Kongsted.
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems.
Published in Journal of Chemical Theory and Computation, 14, 4870 (2018).
[DOI 10.1021/acs.jctc.8b00576] [preprint] [further details]
Michael F. Herbst, Andreas Dreuw and James E. Avery.
Towards quantum-chemical method development for arbitrary basis functions.
Published in Journal of Chemical Physics, 149, 84106 (2018).
Received Editor's Pick.
[DOI 10.1063/1.5044765] [pdf] [arXiv:1807.00704] [code] [further details]
Michael F. Herbst, James E. Avery, Guido Kanschat and Andreas Dreuw.
molsturm: Modular electronic structure theory framework.
Published in Oberwolfach Reports, 1, 631 (2018).
[DOI 10.4171/OWR/2018/13] [bib] [preprint] [slides] [further details]
Michael F. Herbst, Antoine Levitt.
DFTK: The Density-functional toolkit. (2019).
[DOI 10.5281/zenodo.3541724] [bib] [further details]
Michael F. Herbst. ctx: Key-value `c++` datastructures for organised hierarchical storage. (2019).
[DOI 10.5281/zenodo.1481714] [bib]
Michael F. Herbst, Tobias Wackenhut.
SelfConsistentField.jl: A Julia toolbox for coding self-consistent field algorithms. (2018).
[DOI 10.5281/zenodo.1481714] [bib]
Michael F. Herbst. look4bas: Interactively search for Gaussian basis sets. (2018).
[DOI 10.5281/zenodo.1188991] [bib]
Michael F. Herbst. Development of a modular quantum-chemistry framework for the investigation of novel basis functions.
PhD thesis, University of Heidelberg (2018).
[DOI 10.11588/heidok.00024519] [bib] [code] [errata] [further details]
Michael F. Herbst. Instanton calculations of tunnelling in water clusters.
Master thesis, Cambridge University (2013).
[DOI 10.5281/zenodo.1250058] [further details]
Lecture notes
Michael F. Herbst. Getting to know Julia in one day. (2019).
[DOI 10.5281/zenodo.3588584] [code] [further details]
Michael F. Herbst. Advanced bash scripting 2017. (2017).
[DOI 10.5281/zenodo.1045332] [further details]
Michael F. Herbst. Introduction to awk programming 2016. (2016).
[DOI 10.5281/zenodo.1038522] [further details]
Michael F. Herbst. Advanced bash scripting 2015. (2015).
[DOI 10.5281/zenodo.1038526] [further details]