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The Journal of Chemical Physics
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November 21, 2020
Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set
Anouar Benali, Hyeondeok Shin, Olle Heinonen
ACS Physical Chemistry Au
|
September 29, 2025
Quantum Monte Carlo Approaches to Na Intercalation on Bilayer Graphene
Hyeondeok Shin, Anouar Benali, Christopher S Johnson
Journal of Chemical Theory and Computation
|
September 17, 2024
Capturing Correlation Effects in Positron Binding to Atoms and Molecules
Shiv Upadhyay, Anouar Benali, Kenneth D Jordan
The Journal of Chemical Physics
|
November 10, 2020
Taming the fixed-node error in diffusion Monte Carlo via range separation
Anthony Scemama, Emmanuel Giner, Anouar Benali, et al.
Scientific Reports
|
September 26, 2025
Multireference diffusion Monte Carlo reaches 2D materials
Nicole Spanedda, Anouar Benali, Fernando A Reboredo, et al.
The Journal of Chemical Physics
|
July 25, 2018
Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes
Anthony Scemama, Anouar Benali, Denis Jacquemin, et al.
Journal of Chemical Theory and Computation
|
March 1, 2023
Toward DMC Accuracy Across Chemical Space with Scalable Δ-QML
Bing Huang, O Anatole von Lilienfeld, Jaron T Krogel, et al.
ACS Omega
|
October 4, 2021
Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo
Genki I Prayogo, Hyeondeok Shin, Anouar Benali, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2021
Adsorption of a single Pt atom on graphene: spin crossing between physisorbed triplet and chemisorbed singlet states
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee, et al.
The Journal of Physical Chemistry Letters
|
November 5, 2021
Metastable Metallic Phase of a Bilayer Blue Phosphorene Induced by Interlayer Bonding and Intralayer Charge Redistributions
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
November 21, 2020
Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set
Anouar Benali, Hyeondeok Shin, Olle Heinonen
ACS Physical Chemistry Au
|
September 29, 2025
Quantum Monte Carlo Approaches to Na Intercalation on Bilayer Graphene
Hyeondeok Shin, Anouar Benali, Christopher S Johnson
Journal of Chemical Theory and Computation
|
September 17, 2024
Capturing Correlation Effects in Positron Binding to Atoms and Molecules
Shiv Upadhyay, Anouar Benali, Kenneth D Jordan
The Journal of Chemical Physics
|
November 10, 2020
Taming the fixed-node error in diffusion Monte Carlo via range separation
Anthony Scemama, Emmanuel Giner, Anouar Benali, et al.
Scientific Reports
|
September 26, 2025
Multireference diffusion Monte Carlo reaches 2D materials
Nicole Spanedda, Anouar Benali, Fernando A Reboredo, et al.
The Journal of Chemical Physics
|
July 25, 2018
Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes
Anthony Scemama, Anouar Benali, Denis Jacquemin, et al.
Journal of Chemical Theory and Computation
|
March 1, 2023
Toward DMC Accuracy Across Chemical Space with Scalable Δ-QML
Bing Huang, O Anatole von Lilienfeld, Jaron T Krogel, et al.
ACS Omega
|
October 4, 2021
Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo
Genki I Prayogo, Hyeondeok Shin, Anouar Benali, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2021
Adsorption of a single Pt atom on graphene: spin crossing between physisorbed triplet and chemisorbed singlet states
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee, et al.
The Journal of Physical Chemistry Letters
|
November 5, 2021
Metastable Metallic Phase of a Bilayer Blue Phosphorene Induced by Interlayer Bonding and Intralayer Charge Redistributions
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee, et al.
Page
of 3