Anouar Benali

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 13

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The Journal of chemical physics

Argonne National Laboratory

Institut National Polytechnique de Toulouse (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Argonne National Laboratory Jul 01 2018

United States

Computational Scientist :: Computational Science Division

Argonne National Laboratory Jun 01 2013 - Jun 30 2018

United States

Assistant Computational Scientist :: Argonne Leadership Computing Facility

Argonne National Laboratory Jan 28 2011 - May 31 2013

United States

Postdoctoral Appointee :: Argonne Leadership Computing Facility

Education History

Institut National Polytechnique de Toulouse Oct 01 2007 - Dec 10 2010

France

PHD :: CIRIMAT

Publications

Hyeondeok Shin, Kevin Gasperich, Tomas Rojas, Anh T Ngo, Jaron T Krogel, Anouar Benali
Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction. Journal of chemical theory and computation (2024)
Shiv Upadhyay, Anouar Benali, Kenneth D Jordan
Capturing Correlation Effects in Positron Binding to Atoms and Molecules. Journal of chemical theory and computation (2024)
Hyeondeok Shin, Panchapakesan Ganesh, Paul R C Kent, Anouar Benali, Anand Bhattacharya, Ho Nyung Lee, Olle G Heinonen, Jaron T Krogel
DFT+ U and quantum Monte Carlo study of electronic and optical properties of AgNiO 2 and AgNi 1- x Co x O 2 delafossite. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Hyeondeok Shin, Panchapakesan Ganesh, Paul R C Kent, Anouar Benali, Anand Bhattacharya, Ho Nyung Lee, Olle G Heinonen, Jaron T Krogel
DFT+ U and quantum Monte Carlo study of electronic and optical properties of AgNiO 2 and AgNi 1- x Co x O 2 delafossite. Physical chemistry chemical physics : PCCP (2024)
Hyeondeok Shin, Panchapakesan Ganesh, Paul R C Kent, Anouar Benali, Anand Bhattacharya, Ho Nyung Lee, Olle G Heinonen, Jaron T Krogel
DFT+ U and quantum Monte Carlo study of electronic and optical properties of AgNiO 2 and AgNi 1- x Co x O 2 delafossite. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Bing Huang, O Anatole von Lilienfeld, Jaron T Krogel, Anouar Benali
Toward DMC Accuracy Across Chemical Space with Scalable Δ-QML. Journal of chemical theory and computation (2023)
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee, Hyeondeok Shin, Anouar Benali, Yongkyung Kwon
Adsorption of a single Pt atom on graphene: spin crossing between physisorbed triplet and chemisorbed singlet states. Physical chemistry chemical physics : PCCP 23 (38) (2021)
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee, Hyeondeok Shin, Anouar Benali, Yongkyung Kwon
Metastable Metallic Phase of a Bilayer Blue Phosphorene Induced by Interlayer Bonding and Intralayer Charge Redistributions. The journal of physical chemistry letters 12 (45) (2021)
Genki Imam Prayogo, Hyeondeok Shin, Anouar Benali, Ryo Maezono, Kenta Hongo
Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo. ACS omega 6 (38) (2021)
Iuegyun Hong, Jeonghwan Ahn, Hyeondeok Shin, Hyeonhu Bae, Hoonkyung Lee, Anouar Benali, Yongkyung Kwon
Competition between Hückel's Rule and Jahn-Teller Distortion in Small Carbon Rings: A Quantum Monte Carlo Study. The journal of physical chemistry. A 124 (18) (2020)
Yann Garniron, Thomas Applencourt, Kevin Gasperich, Anouar Benali, Anthony Ferté, Julien Paquier, Barthélémy Pradines, Roland Assaraf, Peter Reinhardt, Julien Toulouse, Pierrette Barbaresco, Nicolas Renon, Grégoire David, Jean-Paul Malrieu, Mickaël Véril, Michel Caffarel, Pierre-François Loos, Emmanuel Giner, Anthony Scemama
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs. Journal of chemical theory and computation 15 (6) (2019)
Anthony Scemama, Anouar Benali, Denis Jacquemin, Michel Caffarel, Pierre-François Loos
Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes. The Journal of chemical physics 149 (3) (2018)
Suhwan Song, Min-Cheol Kim, Eunji Sim, Anouar Benali, Olle G Heinonen, Kieron Burke
Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes. Journal of chemical theory and computation 14 (5) (2018)

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Publication Activity (10 Years)

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Anouar Benali