Anouar Benali
- Quantum mechanical dataset of 836k neutral closed shell molecules with upto 5 heavy atoms from CNOFSiPSClBr
2024/05/09 by Danish Khan, Khan, Danish, Anouar Benali +7 · 1 voice · 4 citations
Chemistry · Medicine · #Boron Compounds in Chemistry #Inorganic Chemistry and Materials #Inorganic Fluorides and Related Compounds #physics.chem-ph
- Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
2025/01/22 by Flaviano Della Pia, Benjamin X. Shi, Della Pia, Flaviano +63 · 1 voice · 3 citations
#physics.comp-ph #cond-mat.mtrl-sci #physics.chem-ph
- Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals
2025/04/10 by Anouar Benali, Thomas Plé, Benali, Anouar +39 · 1 voice · 3 citations
#physics.chem-ph
- QREChem: Quantum Resource Estimation Software for Chemistry Applications
2024/04/25 by Matthew Otten, Byeol Kang, Otten, Matthew +11 · 1 citation
Computer Science · #Cloud Computing and Resource Management
- A Foundation Model for Accurate Atomistic Simulations in Drug Design
2025/12/17 by Thomas Plé, Olivier Adjoua, Anouar Benali +4 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
- Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
2024/06/04 by Daniel Wines, Jeonghwan Ahn, Wines, Daniel +23 · 1 citation
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Physics of Superconductivity and Magnetism #Quantum many-body systems #Quantum, superfluid, helium dynamics