Search research articles
Contact Us
Filters
Showing results (1-10 of 11) with videos related to
Page
of 2
Sort By:
The Journal of Chemical Physics
|
August 11, 2020
Quantifying the error of the core-valence separation approximation
Michael F Herbst, Thomas Fransson
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 18, 2020
Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory
Michael F Herbst, Antoine Levitt
Faraday Discussions
|
September 14, 2020
<i>A posteriori</i> error estimation for the non-self-consistent Kohn-Sham equations
Michael F Herbst, Antoine Levitt, Eric Cancès
The Journal of Chemical Physics
|
September 9, 2018
Toward quantum-chemical method development for arbitrary basis functions
Michael F Herbst, Andreas Dreuw, James Emil Avery
Npj Computational Materials
|
January 9, 2026
Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters
Niklas Frederik Schmitz, Bruno Ploumhans, Michael F Herbst
Physical Review. E
|
May 20, 2022
Surrogate models for quantum spin systems based on reduced-order modeling
Michael F Herbst, Benjamin Stamm, Stefan Wessel, et al.
Physical Review. E
|
September 19, 2023
Reduced basis surrogates for quantum spin systems based on tensor networks
Paul Brehmer, Michael F Herbst, Stefan Wessel, et al.
Journal of Chemical Theory and Computation
|
August 8, 2018
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems
Maximilian Scheurer, Michael F Herbst, Peter Reinholdt, et al.
Faraday Discussions
|
November 23, 2020
Challenges for large scale simulation: general discussion
Jan Gerit Brandenburg, Kieron Burke, Bartolomeo Civalleri, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
August 11, 2020
Quantifying the error of the core-valence separation approximation
Michael F Herbst, Thomas Fransson
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 18, 2020
Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory
Michael F Herbst, Antoine Levitt
Faraday Discussions
|
September 14, 2020
<i>A posteriori</i> error estimation for the non-self-consistent Kohn-Sham equations
Michael F Herbst, Antoine Levitt, Eric Cancès
The Journal of Chemical Physics
|
September 9, 2018
Toward quantum-chemical method development for arbitrary basis functions
Michael F Herbst, Andreas Dreuw, James Emil Avery
Npj Computational Materials
|
January 9, 2026
Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters
Niklas Frederik Schmitz, Bruno Ploumhans, Michael F Herbst
Physical Review. E
|
May 20, 2022
Surrogate models for quantum spin systems based on reduced-order modeling
Michael F Herbst, Benjamin Stamm, Stefan Wessel, et al.
Physical Review. E
|
September 19, 2023
Reduced basis surrogates for quantum spin systems based on tensor networks
Paul Brehmer, Michael F Herbst, Stefan Wessel, et al.
Journal of Chemical Theory and Computation
|
August 8, 2018
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems
Maximilian Scheurer, Michael F Herbst, Peter Reinholdt, et al.
Faraday Discussions
|
November 23, 2020
Challenges for large scale simulation: general discussion
Jan Gerit Brandenburg, Kieron Burke, Bartolomeo Civalleri, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Page
of 2