Diffusion Monte Carlo (DMC) is a gold-standard but costly method for electronic structure. Our new paper shows reproducibility across 11 codes—a big community effort. Thrilled to see it out, and grateful to all collaborators who made it possible! pubs.aip.org/aip/jcp/arti...
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer
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
pubs.aip.org
