activity
20162025
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 568 across the 8 of their papers we have counts for

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2 papers · 1 filter

physics.chem-ph2025★ 2 cited

Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals

Anouar Benali, Thomas Plé, Olivier Adjoua +18

We propose an end-to-end integrated strategy to produce highly accurate quantum chemistry (QC) synthetic datasets (energies and forces) aimed at deriving Foundation Machine Learnin…

physics.comp-ph2025★ 7 cited

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer

Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani +30

Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and mole…