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Frontiers in Chemistry
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January 10, 2022
The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules
Fabien Bruneval, Nike Dattani, Michiel J van Setten
Journal of Chemical Theory and Computation
|
January 11, 2018
Assessing GW Approaches for Predicting Core Level Binding Energies
Michiel J van Setten, Ramon Costa, Francesc Viñes, et al.
Journal of Chemical Theory and Computation
|
January 18, 2017
GW100: A Plane Wave Perspective for Small Molecules
Emanuele Maggio, Peitao Liu, Michiel J van Setten, et al.
The Journal of Chemical Physics
|
June 3, 2024
The C1s core levels of polycyclic aromatic hydrocarbons and styrenic polymers: A first-principles study
Laura Galleni, Daniel Escudero, Geoffrey Pourtois, et al.
Journal of Chemical Theory and Computation
|
September 16, 2016
Benchmark of GW Approaches for the GW100 Test Set
Fabio Caruso, Matthias Dauth, Michiel J van Setten, et al.
Journal of Chemical Theory and Computation
|
August 10, 2018
Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis
Dorothea Golze, Jan Wilhelm, Michiel J van Setten, et al.
Journal of Chemical Information and Modeling
|
March 3, 2023
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information
Esteban Marques, Stefan de Gendt, Geoffrey Pourtois, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
First-principles modelling of magnesium titanium hydrides
Süleyman Er, Michiel J van Setten, Gilles A de Wijs, et al.
Molecules (Basel, Switzerland)
|
May 13, 2023
Benchmarking First-Principles Reaction Equilibrium Composition Prediction
Esteban A Marques, Stefan De Gendt, Geoffrey Pourtois, et al.
The Journal of Physical Chemistry Letters
|
September 9, 2022
Modeling X-ray Photoelectron Spectroscopy of Macromolecules Using <i>GW</i>
Laura Galleni, Faegheh S Sajjadian, Thierry Conard, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Frontiers in Chemistry
|
January 10, 2022
The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules
Fabien Bruneval, Nike Dattani, Michiel J van Setten
Journal of Chemical Theory and Computation
|
January 11, 2018
Assessing GW Approaches for Predicting Core Level Binding Energies
Michiel J van Setten, Ramon Costa, Francesc Viñes, et al.
Journal of Chemical Theory and Computation
|
January 18, 2017
GW100: A Plane Wave Perspective for Small Molecules
Emanuele Maggio, Peitao Liu, Michiel J van Setten, et al.
The Journal of Chemical Physics
|
June 3, 2024
The C1s core levels of polycyclic aromatic hydrocarbons and styrenic polymers: A first-principles study
Laura Galleni, Daniel Escudero, Geoffrey Pourtois, et al.
Journal of Chemical Theory and Computation
|
September 16, 2016
Benchmark of GW Approaches for the GW100 Test Set
Fabio Caruso, Matthias Dauth, Michiel J van Setten, et al.
Journal of Chemical Theory and Computation
|
August 10, 2018
Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis
Dorothea Golze, Jan Wilhelm, Michiel J van Setten, et al.
Journal of Chemical Information and Modeling
|
March 3, 2023
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information
Esteban Marques, Stefan de Gendt, Geoffrey Pourtois, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
First-principles modelling of magnesium titanium hydrides
Süleyman Er, Michiel J van Setten, Gilles A de Wijs, et al.
Molecules (Basel, Switzerland)
|
May 13, 2023
Benchmarking First-Principles Reaction Equilibrium Composition Prediction
Esteban A Marques, Stefan De Gendt, Geoffrey Pourtois, et al.
The Journal of Physical Chemistry Letters
|
September 9, 2022
Modeling X-ray Photoelectron Spectroscopy of Macromolecules Using <i>GW</i>
Laura Galleni, Faegheh S Sajjadian, Thierry Conard, et al.
Page
of 2