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Employment (8)

EPFL - École Polytechnique Fédérale de Lausanne: Lausanne, CH

2023 to 2025
Employment
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ORCID Integration at EPFL

EPFL - École Polytechnique Fédérale de Lausanne: Lausanne, CH

2023 to 2025 (School of Basic Sciences, Institute of Mathematics, Mathematics for materials modelling (SB/STI))
Employment
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ORCID Integration at EPFL

EPFL - École Polytechnique Fédérale de Lausanne: Lausanne, CH

2023 to 2025 (School of Engineering, Institute of Materials, Mathematics for materials modelling (STI/SB))
Employment
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ORCID Integration at EPFL

RWTH Aachen University: Aachen, Nordrhein-Westfalen, DE

2021-03-01 to 2023-02-28 (Applied and Computational Mathematics (ACoM))
Employment
Source: Self-asserted source
Michael F. Herbst

Sorbonne University: Paris, FR

2019-01-01 to 2021-02-28 | Postdoctoral fellow (Institut des Science du Calcul et Données)
Employment
Source: Self-asserted source
Michael F. Herbst

Inria de Paris: Paris Cedex 12, FR

2019-01-01 to 2021-02-28 | Postdoctoral research fellow
Employment
Source: Self-asserted source
Michael F. Herbst

Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique: Marne-la-Vallee, Île-de-France, FR

2019-01-01 to 2021-02-28 | Postdoctoral research fellow
Employment
Source: Self-asserted source
Michael F. Herbst

Ruprecht Karls Universität Heidelberg: Heidelberg, Baden-Württemberg, DE

2014-01-01 to 2018-12-31 | researcher (Interdisziplinäres Zentrum für Wissenschaftliches Rechnen (IWR))
Employment
Source: Self-asserted source
Michael F. Herbst

Education and qualifications (2)

Ruprecht Karls Universitat Heidelberg Fakultät für Chemie und Geowissenschaften: Heidelberg, Baden-Württemberg, DE

2014-01-01 to 2018-05-22 | Dr. rer. nat.
Education
Source: Self-asserted source
Michael F. Herbst

University of Cambridge: Cambridge, Cambridgeshire, GB

2009-10 to 2013-06-28 | Master of Natural Sciences (Girton College)
Education
Source: Self-asserted source
Michael F. Herbst

Works (17)

ddX: Polarizable continuum solvation from small molecules to proteins

WIREs Computational Molecular Science
2024-07 | Journal article
DOI: 10.1002/wcms.1726
Contributors: Michele Nottoli; Michael F. Herbst; Aleksandr Mikhalev; Abhinav Jha; Filippo Lipparini; Benjamin Stamm
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Crossref

Multitask methods for predicting molecular properties from heterogeneous data

The Journal of Chemical Physics
2024-07-07 | Journal article
DOI: 10.1063/5.0201681
Contributors: K. E. Fisher; M. F. Herbst; Y. M. Marzouk
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Crossref

ddX: Polarizable Continuum Solvation from Small Molecules to Proteins

2024-06-06 | Preprint
DOI: 10.26434/chemrxiv-2024-787rx-v2
Contributors: Michele Nottoli; Michael F. Herbst; Aleksandr Mikhalev; Abhinav Jha; Filippo Lipparini; Benjamin Stamm
Source: check_circle
Crossref

ddX: Polarizable Continuum Solvation from Small Molecules to Proteins

2024-03-11 | Preprint
DOI: 10.26434/chemrxiv-2024-787rx
Contributors: Michele Nottoli; Michael F. Herbst; Aleksandr Mikhalev; Abhinav Jha; Filippo Lipparini; Benjamin Stamm
Source: check_circle
Crossref

Reduced basis surrogates for quantum spin systems based on tensor networks

Physical Review E
2023-08-18 | Journal article
DOI: 10.1103/PhysRevE.108.025306
Contributors: Paul Brehmer; Michael F. Herbst; Stefan Wessel; Matteo Rizzi; Benjamin Stamm
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Crossref

Numerical stability and efficiency of response property calculations in density functional theory

Letters in Mathematical Physics
2023-02 | Journal article
DOI: 10.1007/s11005-023-01645-3
Contributors: Eric Cancès; Michael F. Herbst; Gaspard Kemlin; Antoine Levitt; Benjamin Stamm
Source: check_circle
Crossref

A robust and efficient line search for self-consistent field iterations

Journal of Computational Physics
2022-06 | Journal article
DOI: 10.1016/j.jcp.2022.111127
Contributors: Michael F. Herbst; Antoine Levitt
Source: check_circle
Crossref

Surrogate models for quantum spin systems based on reduced-order modeling

Physical Review E
2022-04-04 | Journal article
DOI: 10.1103/PhysRevE.105.045303
Contributors: Michael F. Herbst; Benjamin Stamm; Stefan Wessel; Matteo Rizzi
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Crossref

Gator: A Python‐driven program for spectroscopy simulations using correlated wave functions

WIREs Computational Molecular Science
2021-11 | Journal article
DOI: 10.1002/wcms.1528
Contributors: Dirk R. Rehn; Zilvinas Rinkevicius; Michael F. Herbst; Xin Li; Maximilian Scheurer; Manuel Brand; Adrian L. Dempwolff; Iulia E. Brumboiu; Thomas Fransson; Andreas Dreuw et al.
Source: check_circle
Crossref

Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory

Journal of Physics: Condensed Matter
2021-02-24 | Journal article
DOI: 10.1088/1361-648X/abcbdb
Contributors: Michael F Herbst; Antoine Levitt
Source: check_circle
Crossref

A posteriori error estimation for the non-self-consistent Kohn–Sham equations

Faraday Discussions
2020 | Journal article
DOI: 10.1039/D0FD00048E
Contributors: Michael F. Herbst; Antoine Levitt; Eric Cancès
Source: check_circle
Crossref

Challenges for large scale simulation: general discussion

Faraday Discussions
2020 | Journal article
DOI: 10.1039/D0FD90024A
Contributors: Jan Gerit Brandenburg; Kieron Burke; Bartolomeo Civalleri; Daniel J. Cole; Gábor Csányi; Grégoire David; Nikitas I. Gidopoulos; Duncan Gowland; Trygve Helgaker; Michael F. Herbst et al.
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Crossref

adcc: A versatile toolkit for rapid development of algebraic‐diagrammatic construction methods

WIREs Computational Molecular Science
2020-11 | Journal article
DOI: 10.1002/wcms.1462
Contributors: Michael F. Herbst; Maximilian Scheurer; Thomas Fransson; Dirk R. Rehn; Andreas Dreuw
Source: check_circle
Crossref

Quantifying the error of the core–valence separation approximation

The Journal of Chemical Physics
2020-08-07 | Journal article
DOI: 10.1063/5.0013538
Contributors: Michael F. Herbst; Thomas Fransson
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Crossref

Quantum chemistry with Coulomb Sturmians: Construction and convergence of Coulomb Sturmian basis sets at the Hartree-Fock level

Physical Review A
2019-01 | Journal article
DOI: 10.1103/physreva.99.012512
Part of ISSN: 2469-9926
Contributors: Michael F. Herbst; James Emil Avery; Andreas Dreuw
Source: Self-asserted source
Michael F. Herbst via Crossref Metadata Search

Toward quantum-chemical method development for arbitrary basis functions

The Journal of Chemical Physics
2018-08-28 | Journal article
DOI: 10.1063/1.5044765
Contributors: Michael F. Herbst; Andreas Dreuw; James Emil Avery
Source: check_circle
Crossref

Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems

Journal of Chemical Theory and Computation
2018-08-07 | Journal article
DOI: 10.1021/acs.jctc.8b00576
Part of ISSN: 1549-9618
Contributors: Maximilian Scheurer; Michael F. Herbst; Peter Reinholdt; Jógvan Magnus Haugaard Olsen; Andreas Dreuw; Jacob Kongsted
Source: Self-asserted source
Michael F. Herbst via Crossref Metadata Search
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